Crystallography Open Database

Information card for entry 8107696

Preview

Coordinates	8107696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 N2 O2
Calculated formula	C31 H28 N2 O2
SMILES	O/N=C/c1ccc(cc1)c1cc2c(cc1)c1c(cc(cc1)c1ccc(cc1)/C=N/O)C2(CC)CC
Title of publication	Crystal structure of (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde dioxime, C31H28N2O2
Authors of publication	Ma, Ying-Hong; Zhao, Hong-Yan; Tian, Yu; Wu, Yi; Wang, Lei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1181 - 1183
a	9.0809 ± 0.0009 Å
b	9.2626 ± 0.0009 Å
c	14.854 ± 0.0015 Å
α	93.574 ± 0.008°
β	98.554 ± 0.008°
γ	99.558 ± 0.008°
Cell volume	1213.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0871
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
287957 (current)	2023-12-04	cif/ Adding structures of 8107696 via cif-deposit CGI script.	8107696.cif