Crystallography Open Database

Information card for entry 7225953

Preview

Structure parameters

Formula	C23 H25 N2 O5 P
Calculated formula	C23 H25 N2 O5 P
Title of publication	Regioselective BF3·Et2O-catalyzed C-H Functionalization of Indoles and Pyrrole with Reaction of α-Diazophosphonates
Authors of publication	Cai, Yan; Li, Yuming; Zhang, Minxuan; Fu, Jiaxin; Miao, Zhiwei
Journal of publication	RSC Adv.
Year of publication	2016
a	14.067 ± 0.003 Å
b	17.217 ± 0.003 Å
c	18.001 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4359.7 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1314
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2308
Weighted residual factors for all reflections included in the refinement	0.2509
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225953.cif
184495	2016-07-16	cif/ Adding structures of 7225953, 7225954 via cif-deposit CGI script.	7225953.cif