Crystallography Open Database

Information card for entry 7225666

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Structure parameters

Formula	C24 H19 Cl N2 O6 S
Calculated formula	C24 H19 Cl N2 O6 S
SMILES	S1(=O)(=O)N2[C@](c3c1ccc(Cl)c3)(c1ccccc1)C(=C(N1[C@H]2C=CC=C1)C(=O)OC)C(=O)OC.S1(=O)(=O)N2[C@@](c3c1ccc(Cl)c3)(c1ccccc1)C(=C(N1[C@@H]2C=CC=C1)C(=O)OC)C(=O)OC
Title of publication	Diastereoselective synthesis of highly functionalized polycyclic benzosultams via tandem cyclisations of cyclic N-sulfonylimines with in situ generated Huisgen 1,4-dipoles
Authors of publication	Zhao, Hongwu; Chen, Xiao-Qin; Pang, Hai-Liang; Tian, Ting; Li, Bo; song, xiuqing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang
Journal of publication	RSC Adv.
Year of publication	2016
a	10.827 ± 0.0017 Å
b	13.849 ± 0.002 Å
c	14.496 ± 0.002 Å
α	90°
β	90.488 ± 0.005°
γ	90°
Cell volume	2173.5 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
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	0.0312
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225666.cif
183905	2016-06-24	cif/ Adding structures of 7225666 via cif-deposit CGI script.	7225666.cif