Crystallography Open Database

Information card for entry 4111498

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Structure parameters

Formula	C23 H26 Br0.159 Cl0.841 N2 Rh
Calculated formula	C23 H26 Br0.159 Cl0.841 N2 Rh
Title of publication	Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes
Authors of publication	Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3290 - 3291
a	13.4068 ± 0.0003 Å
b	17.5452 ± 0.0003 Å
c	17.0553 ± 0.0003 Å
α	90°
β	98.382 ± 0.0011°
γ	90°
Cell volume	3968.98 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for all reflections	0.0523
Weighted residual factors for significantly intense reflections	0.0314
Weighted residual factors for all reflections included in the refinement	0.0314
Goodness-of-fit parameter for all reflections included in the refinement	1.1101
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4111498.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111498.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111498.cif
63098	2012-07-18	cif/ Adding structures of 4111498 via cif-deposit CGI script.	4111498.cif