Crystallography Open Database

Information card for entry 7247699

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Coordinates	7247699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O2
Calculated formula	C16 H14 N2 O2
Title of publication	Rapid assembly of structurally diverse cyanamides and disulfanes via base-mediated aminoalkylation of aryl thiourea
Authors of publication	Zheng, Yongpeng; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing; Jiang, Huanfeng
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	47
Pages of publication	33047 - 33052
a	6.5729 ± 0.0005 Å
b	29.957 ± 0.002 Å
c	6.9575 ± 0.0005 Å
α	90°
β	100.913 ± 0.003°
γ	90°
Cell volume	1345.19 ± 0.17 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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