Crystallography Open Database

Information card for entry 7060523

Preview

Coordinates	7060523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 Cl N3 O3 S
Calculated formula	C31 H28 Cl N3 O3 S
Title of publication	Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters
Authors of publication	Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	18
Pages of publication	8314 - 8320
a	12.9608 ± 0.001 Å
b	13.9494 ± 0.0012 Å
c	17.7301 ± 0.0013 Å
α	90°
β	93.761 ± 0.003°
γ	90°
Cell volume	3198.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1249
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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