Crystallography Open Database

Information card for entry 7060516

Preview

Coordinates	7060516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 N4 O4 S
Calculated formula	C38 H36 N4 O4 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	9.3658 ± 0.0008 Å
b	10.3049 ± 0.0009 Å
c	17.1465 ± 0.0014 Å
α	90°
β	95.426 ± 0.003°
γ	90°
Cell volume	1647.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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