Crystallography Open Database

Information card for entry 8105210

Preview

Coordinates	8105210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N4 O5
Calculated formula	C34 H36 N4 O5
Title of publication	Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C34H36N4O5
Authors of publication	Zhang, Youlu; Ma, Fengwei; Zhang, Bo; Mi, Xia; Zhang, Jingyu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	2
Pages of publication	301 - 303
a	29.9636 ± 0.0009 Å
b	20.4 ± 0.0003 Å
c	14.2266 ± 0.0004 Å
α	90°
β	132.845 ± 0.005°
γ	90°
Cell volume	6376 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
275323 (current)	2022-05-11	cif/ Adding structures of 8105210 via cif-deposit CGI script.	8105210.cif