Crystallography Open Database

Information card for entry 7245581

Preview

Coordinates	7245581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N O2
Calculated formula	C22 H21 N O2
SMILES	O=C1C(=C/C=C/c2ccc(N(CC)CC)cc2)C(=O)c2ccccc12
Title of publication	Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties
Authors of publication	Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	43
Pages of publication	27766 - 27774
a	21.496 ± 0.008 Å
b	7.8 ± 0.003 Å
c	21.007 ± 0.007 Å
α	90°
β	95.13 ± 0.03°
γ	90°
Cell volume	3508 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.2539
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
278262 (current)	2022-09-29	cif/ Adding structures of 7245580, 7245581, 7245582, 7245583, 7245584, 7245585 via cif-deposit CGI script.	7245581.cif