Crystallography Open Database

Information card for entry 8102503

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Coordinates	8102503.cif

Structure parameters

Formula	C40 H30 Cl4 N2 O4
Calculated formula	C40 H30 Cl4 N2 O4
Title of publication	Crystal structure of 4,8-dihydroxy-1,5-bis(diphenylcarbamoyl)-s-indacene — dichloromethane (1:2), C38H26N2O4 · 2CH2Cl2
Authors of publication	Barbara Enk; Klaus Wurst; Benno Bildstein
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	591
a	9.309 ± 0.0003 Å
b	9.951 ± 0.0004 Å
c	10.3319 ± 0.0004 Å
α	84.768 ± 0.002°
β	73.098 ± 0.002°
γ	70.6 ± 0.002°
Cell volume	863.73 ± 0.06 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102503.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102503.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102503.cif
13242	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102503 via cif-deposit CGI script.	8102503.cif