Crystallography Open Database

Information card for entry 7060518

Preview

Coordinates	7060518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 N3 O4 S
Calculated formula	C29 H23 N3 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	10.1091 ± 0.0005 Å
b	23.119 ± 0.0011 Å
c	21.9291 ± 0.001 Å
α	90°
β	100.109 ± 0.002°
γ	90°
Cell volume	5045.5 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.1657
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060518.html