Crystallography Open Database

Information card for entry 7060519

Preview

Coordinates	7060519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Cl N3 O3 S
Calculated formula	C34 H26 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	19.0749 ± 0.0018 Å
b	11.6066 ± 0.0011 Å
c	16.6701 ± 0.0016 Å
α	90°
β	110.707 ± 0.003°
γ	90°
Cell volume	3452.3 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1693
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2471
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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