Crystallography Open Database

Information card for entry 7242898

Preview

Coordinates	7242898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 O6
Calculated formula	C20 H16 O6
SMILES	C1(=O)C2C(c3ccc(cc3O1)OC)C1C(=O)Oc3c(C21)ccc(c3)OC
Title of publication	Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin
Authors of publication	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	34
Pages of publication	5780 - 5787
a	14.6312 ± 0.0007 Å
b	12.0469 ± 0.0006 Å
c	18.6651 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3289.9 ± 0.3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.305
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268677 (current)	2021-09-06	cif/ Updating files of 7242895, 7242896, 7242897, 7242898 Original log message: Adding full bibliography for 7242895--7242898.cif.	7242898.cif
265464	2021-05-24	cif/ Adding structures of 7242895, 7242896, 7242897, 7242898 via cif-deposit CGI script.	7242898.cif