Crystallography Open Database

Information card for entry 8107697

Preview

Coordinates	8107697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 F2 N2 O4
Calculated formula	C40 H36 F2 N2 O4
Title of publication	Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4
Authors of publication	Zhang, Zi-Ang; Li, Jun-Xiang; Lu, Sen-Bao; Li, Peng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1185 - 1187
a	9.818 ± 0.0016 Å
b	19.355 ± 0.003 Å
c	17.93 ± 0.003 Å
α	90°
β	102.353 ± 0.003°
γ	90°
Cell volume	3328.3 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1046
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287958 (current)	2023-12-04	cif/ Adding structures of 8107697 via cif-deposit CGI script.	8107697.cif