STRUCTURE OF (+)-(3S,4R,5R,1'R,2'S,5'R)-TETRACARBONYL((3,4-ETA-2)-5-[5'-METHYL-2'-(1-METHYLETHYL)CYCLOHEXYLOXY]-2(5H)-FURANONE)IRON

被引：9

作者：

ENDERS, D ^{[1
]}

SCHMITZ, T ^{[1
]}

RAABE, G ^{[1
]}

KRUGER, C ^{[1
]}

机构：

[1] MAX PLANCK INST COAL RES,RONTGENLAB,W-4330 MULHEIM,GERMANY

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1991年 / 47卷

关键词：

D O I：

10.1107/S0108270190006382

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

C18H22FeO7, M(r) = 406.2, orthorhombic, P2(1)2(1)2(1), a = 6.4633 (3), b = 10.7995 (7), c = 28.056 (1) angstrom, V = 1958.3 angstrom 3, Z = 4, D(x) = 1.38 g cm-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 8.00 cm-1, F(000) = 848, T = 293 K, R = 0.030 for 3655 observed reflections, crystals obtained from hexane. A striking feature of the molecular structure is an unusual 'anti-steric' cis orientation of the menthyloxy- and the Fe(CO)4 ligands. The experimental results have been supplemented by the results of quantum chemical ab initio calculations.

引用

页码：37 / 40

页数：4

共 19 条

[1]

BUSING WR, 1962, ORNLTM305 REP

[2] OLEFIN CO-ORDINATION COMPOUNDS .3. INFRA-RED SPECTRA AND STRUCTURE - ATTEMPTED PREPARATION OF ACETYLENE COMPLEXES [J].

CHATT, J ;

DUNCANSON, LA .

JOURNAL OF THE CHEMICAL SOCIETY, 1953, (OCT) :2939-2947

[3] CALCULATION OF ABSORPTION CORRECTIONS FOR CAMERA AND DIFFRACTOMETER DATA [J].

COPPENS, P ;

LEISEROWITZ, L ;

RABINOVICH, D .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :1035-+

[4]

CORRADINI P, 1966, J CHEM SOC CHEM COMM, P341

[5]

Dewar M. J. S., 1951, B SOC CHIM FR, V18, pC71, DOI DOI 10.1021/OM0501778

[6] ASYMMETRIC 1,4-ADDITIONS TO 5-ALKOXY-2(5H)-FURANONES - AN EFFICIENT SYNTHESIS OF (R)-3,4-EPOXY-1-BUTANOL AND (S)-3,4-EPOXY-1-BUTANOL [J].

FERINGA, BL ;

DELANGE, B .

TETRAHEDRON, 1988, 44 (23) :7213-7222

[7] ON ENANTIOMORPH-POLARITY ESTIMATION [J].

FLACK, HD .

ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (NOV) :876-881

[8]

FRISCH MJ, 1984, GAUSSIAN86

[9] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[10]

HEHRE WJ, 1986, AB INITIO MOL ORBITA, P165

← 1 2 →