Crystallography Open Database

Information card for entry 7242896

Preview

Coordinates	7242896.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	7-methoxycoumarin
Formula	C10 H8 O3
Calculated formula	C10 H8 O3
SMILES	c1(=O)ccc2ccc(cc2o1)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	6.8504 ± 0.0008 Å
b	10.7265 ± 0.0013 Å
c	12.3293 ± 0.0015 Å
α	107.962 ± 0.004°
β	95.521 ± 0.004°
γ	95.436 ± 0.004°
Cell volume	850.38 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	7242896.cif
265464	2021-05-24	cif/ Adding structures of 7242895, 7242896, 7242897, 7242898 via cif-deposit CGI script.	7242896.cif