Crystallography Open Database

Information card for entry 1573892

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Coordinates	1573892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 S
Calculated formula	C15 H16 N2 S
Title of publication	The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas
Authors of publication	Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong
Journal of publication	Polymer Chemistry
Year of publication	2025
Journal volume	16
Journal issue	13
Pages of publication	1509 - 1518
a	11.6219 ± 0.0002 Å
b	13.9013 ± 0.0002 Å
c	8.4102 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1358.75 ± 0.04 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0352
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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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