Crystallography Open Database

Information card for entry 7242321

Preview

Coordinates	7242321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 S
Calculated formula	C52 H44 S
Title of publication	Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization
Authors of publication	Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	14
Pages of publication	2654 - 2664
a	16.5329 ± 0.0004 Å
b	9.1211 ± 0.0002 Å
c	24.9977 ± 0.0006 Å
α	90°
β	90.694 ± 0.001°
γ	90°
Cell volume	3769.33 ± 0.15 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.2066
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265975 (current)	2021-06-05	cif/ Updating files of 7242319, 7242320, 7242321, 7242322 Original log message: Adding full bibliography for 7242319--7242322.cif.	7242321.cif
262208	2021-02-25	cif/ Adding structures of 7242319, 7242320, 7242321, 7242322 via cif-deposit CGI script.	7242321.cif