Crystallography Open Database

Information card for entry 7225388

Preview

Coordinates	7225388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 O
Calculated formula	C24 H16 O
SMILES	O=C1/C(=C/c2c3ccccc3cc3ccccc23)Cc2c1cccc2
Title of publication	Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation
Authors of publication	Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	38
Pages of publication	7305
a	14.6606 ± 0.0018 Å
b	8.689 ± 0.0012 Å
c	25.95 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3305.7 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1301
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187037 (current)	2016-10-08	cif/ Updating files of 7225387, 7225388 Original log message: Adding full bibliography for 7225387--7225388.cif.	7225388.cif
183194	2016-06-01	cif/ Adding structures of 7225387, 7225388 via cif-deposit CGI script.	7225388.cif