Crystallography Open Database

Information card for entry 1573849

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Coordinates	1573849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N3 O3 S
Calculated formula	C10 H11 N3 O3 S
Title of publication	Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.
Authors of publication	Lu, Jiachen; Ok, Kang Min
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	11
Pages of publication	4703 - 4709
a	7.2257 ± 0.0004 Å
b	13.4248 ± 0.0008 Å
c	24.382 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2365.1 ± 0.2 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 K
Number of distinct elements	5
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	0.1243
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.209
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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