Crystallography Open Database

Information card for entry 1570304

Preview

Coordinates	1570304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H49 F N4 O4
Calculated formula	C35 H49 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	31.029 ± 0.003 Å
b	9.9381 ± 0.001 Å
c	10.8384 ± 0.0011 Å
α	90°
β	99.374 ± 0.003°
γ	90°
Cell volume	3297.6 ± 0.6 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1392
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	1570304.cif
287610	2023-11-15	cif/ Adding structures of 1570302, 1570303, 1570304, 1570305 via cif-deposit CGI script.	1570304.cif