Crystallography Open Database

Information card for entry 7216821

Preview

Coordinates	7216821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 F N5 O5
Calculated formula	C30 H33 F N5 O5
Title of publication	Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid
Authors of publication	Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7667
a	10.9374 ± 0.0007 Å
b	12.6162 ± 0.0008 Å
c	12.7201 ± 0.0008 Å
α	61.396 ± 0.001°
β	66.853 ± 0.001°
γ	68.137 ± 0.001°
Cell volume	1379.57 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0673
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216821.cif
121623	2014-08-08	cif/ Updating files of 7216820, 7216821 Original log message: Adding full bibliography for 7216820--7216821.cif.	7216821.cif
118215	2014-06-27	cif/ Adding structures of 7216820, 7216821 via cif-deposit CGI script.	7216821.cif