Crystallography Open Database

Information card for entry 7245584

Preview

Coordinates	7245584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O2
Calculated formula	C24 H23 N O2
SMILES	C1(=O)c2ccccc2C(=O)C1=C/C=C/C=C/c1ccc(cc1)N(CC)CC
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	11.278 ± 0.003 Å
b	17.731 ± 0.003 Å
c	20.405 ± 0.005 Å
α	90°
β	103.26 ± 0.03°
γ	90°
Cell volume	3971.6 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7245584.cif