Crystallography Open Database

Information card for entry 4508580

Preview

Coordinates	4508580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O3
Calculated formula	C24 H29 N O3
Title of publication	Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements
Authors of publication	Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5450
a	5.9523 ± 0.0008 Å
b	11.8173 ± 0.0018 Å
c	15.072 ± 0.002 Å
α	79.253 ± 0.003°
β	84.287 ± 0.002°
γ	75.924 ± 0.002°
Cell volume	1008.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179621 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/85.	4508580.cif
91620	2013-12-13	cif/ Adding structures of 4508580 via cif-deposit CGI script.	4508580.cif