Crystallography Open Database

Information card for entry 7241234

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Coordinates	7241234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O4 S
Calculated formula	C19 H23 N O4 S
Title of publication	Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Authors of publication	Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	20
Pages of publication	6798 - 6803
a	9.0842 ± 0.0012 Å
b	11.168 ± 0.0014 Å
c	11.3556 ± 0.0013 Å
α	108.185 ± 0.011°
β	106.055 ± 0.011°
γ	109.685 ± 0.012°
Cell volume	932 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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

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