Crystallography Open Database

Information card for entry 4519218

4519217 << 4519218 >> 4519219

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Coordinates	4519218.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sfjyd
Formula	C15 H13 N O2 S
Calculated formula	C15 H13 N O2 S
SMILES	s1c(ccc1)[C@@]1(Nc2c(C1=O)cccc2)CC(=O)C
Title of publication	Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.
Authors of publication	Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	49
Pages of publication	58619 - 58629
a	8.8079 ± 0.0002 Å
b	10.0724 ± 0.0003 Å
c	15.1907 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1347.67 ± 0.06 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2101
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
271714 (current)	2022-01-03	cif/ Adding structures of 4519218 via cif-deposit CGI script.	4519218.cif