Crystallography Open Database

Information card for entry 4322218

Preview

Coordinates	4322218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H114 N14 Ni O10
Calculated formula	C87 H100 N13 Ni O9
Title of publication	Asymmetric Epoxidation of 1,2-Dihydronaphthalene Catalyzed by Manganese Chiroporphyrins: Stereoinduction Directed by Steric Exclusion
Authors of publication	Céline Pérollier; Jacques Pécaut; René Ramasseul; Jean-Claude Marchon
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3758 - 3759
a	16.1891 ± 0.0008 Å
b	21.6791 ± 0.0011 Å
c	11.9781 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4203.9 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179325 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22.	4322218.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322218.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322218.cif
20479	2011-06-09	../uploads/cif-deposit/cod/cif Adding structures of 4322218 via cif-deposit CGI script.	4322218.cif