Crystallography Open Database

Information card for entry 7130547

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Coordinates	7130547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N O3 S
Calculated formula	C10 H13 N O3 S
Title of publication	Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals
Authors of publication	Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong
Journal of publication	Chemical Communications
Year of publication	2022
a	7.7025 ± 0.0001 Å
b	7.7025 ± 0.0001 Å
c	36.3548 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2156.88 ± 0.05 Å³
Cell temperature	301.63 ± 0.1 K
Ambient diffraction temperature	301.63 ± 0.1 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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