Crystallography Open Database

Information card for entry 7060515

Preview

Coordinates	7060515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 N3 O4 S2
Calculated formula	C29 H27 N3 O4 S2
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	11.2427 ± 0.0005 Å
b	11.4819 ± 0.0005 Å
c	13.5468 ± 0.0006 Å
α	88.6303 ± 0.0015°
β	73.6805 ± 0.0014°
γ	69.6071 ± 0.0014°
Cell volume	1567.75 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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