Crystallography Open Database

Information card for entry 1570305

Preview

Coordinates	1570305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H57 F N4 O4
Calculated formula	C39 H57 F N4 O4
Title of publication	The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.
Authors of publication	Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting
Journal of publication	IUCrJ
Year of publication	2024
Journal volume	11
Journal issue	Pt 1
Pages of publication	23 - 33
a	34.188 ± 0.003 Å
b	9.828 ± 0.0009 Å
c	10.8068 ± 0.0009 Å
α	90°
β	92.992 ± 0.003°
γ	90°
Cell volume	3626.1 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
289698 (current)	2024-02-05	cif/ Updating files of 1570302, 1570303, 1570304, 1570305 Original log message: Adding full bibliography for 1570302--1570305.cif.	1570305.cif
287610	2023-11-15	cif/ Adding structures of 1570302, 1570303, 1570304, 1570305 via cif-deposit CGI script.	1570305.cif