Crystallography Open Database

Information card for entry 7157210

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Structure parameters

Common name	3g
Formula	C36 H38 Cl N O4 S
Calculated formula	C36 H38 Cl N O4 S
Title of publication	Diastereoselective construction of 3-aryl-substituted indolines via annulation of in situ generated p-quinone methides
Authors of publication	Zhao, Kun; Wang, Junwei; pan, xiang; Zhao, Lei; zhao, lin; Liu, Jian; zhi, ying; wang, ai; Hu, Lihong
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2019
a	13.1159 ± 0.0007 Å
b	10.7662 ± 0.0006 Å
c	23.776 ± 0.0012 Å
α	90°
β	102.7 ± 0.0009°
γ	90°
Cell volume	3275.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157210.cif
227939	2019-11-16	cif/ Adding structures of 7157210 via cif-deposit CGI script.	7157210.cif