Crystallography Open Database

Information card for entry 8106270

Preview

Coordinates	8106270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N3 O3
Calculated formula	C28 H29 N3 O3
Title of publication	Crystal structure of 2-[[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]phenyl] methyl]-1H-isoindole-1,3(2H)-dione, C28H29N3O3
Authors of publication	Zhou, Jinhui; Huang, Cuicui; Shi, Maojian; Liu, Jing; Ding, Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	711 - 714
a	8.2887 ± 0.0003 Å
b	14.1977 ± 0.0005 Å
c	21.3385 ± 0.0007 Å
α	107.142 ± 0.003°
β	92.773 ± 0.003°
γ	104.24 ± 0.003°
Cell volume	2305.95 ± 0.15 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.062
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279591 (current)	2022-11-28	cif/ Adding structures of 8106270 via cif-deposit CGI script.	8106270.cif