Crystallography Open Database

Information card for entry 7245583

Preview

Coordinates	7245583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N3 O
Calculated formula	C25 H21 N3 O
SMILES	C1(=C\C=C\c2ccc(cc2)N(CC)CC)\C(=O)c2ccccc2C1=C(C#N)C#N
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	14.66 ± 0.003 Å
b	8.79 ± 0.0018 Å
c	16.19 ± 0.003 Å
α	90°
β	99.29 ± 0.03°
γ	90°
Cell volume	2058.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.127
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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.	7245583.cif