Crystallography Open Database

Information card for entry 8106141

Preview

Coordinates	8106141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 N2 O4
Calculated formula	C40 H50 N2 O4
Title of publication	Crystal structure of dimethyl 3,9-dibenzyl-6,12-dicyclohexyl-3,9-diazahexacyclo [6.4.0.02,7.04,11.05,10]-dodecane-1,11-dicarboxylate, C40H50N2O4
Authors of publication	Zhu, Hao; Li, Yi-Fan; Guo, Ying-Ying; Liu, Shan; Lan, Han-Yang; Zhuang, Peng-Yu; Zhong, Qi-Di
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	325 - 326
a	10.355 ± 0.002 Å
b	17.809 ± 0.004 Å
c	8.9354 ± 0.0016 Å
α	90°
β	97.101 ± 0.004°
γ	90°
Cell volume	1635.2 ± 0.6 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
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	0.0491
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
279361 (current)	2022-11-17	cif/ Adding structures of 8106141 via cif-deposit CGI script.	8106141.cif