Crystallography Open Database

Information card for entry 8101948

8101947 << 8101948 >> 8101949

Preview

Coordinates	8101948.cif

Structure parameters

Chemical name	ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
Formula	C26 H23 N3 O3
Calculated formula	C26 H23 N3 O3
Title of publication	Crystal structure of ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2- ethoxybenzimidazole-7-carboxylate, C~26~H~23~N~3~O~3~
Authors of publication	Li, T.-H.; Mao, X.-B.; Song, Q.-B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	2
Pages of publication	169 - 170
a	11.4799 ± 0.0014 Å
b	8.3774 ± 0.0011 Å
c	22.824 ± 0.003 Å
α	90°
β	90.299 ± 0.003°
γ	90°
Cell volume	2195 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1975
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	0.639
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
176728 (current)	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.	8101948.cif
107948	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101948.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101948.cif
12687	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101948 via cif-deposit CGI script.	8101948.cif