Crystallography Open Database

Information card for entry 7118207

Preview

Coordinates	7118207.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6t
Chemical name	Trans-2,3-di-4-tolyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole
Formula	C32 H29 N O2 S
Calculated formula	C32 H29 N O2 S
SMILES	S(=O)(=O)(n1c2c(c3c1cccc3)C[C@@H](c1ccc(cc1)C)[C@@H]2c1ccc(cc1)C)c1ccc(cc1)C.S(=O)(=O)(n1c2c(c3c1cccc3)C[C@H](c1ccc(cc1)C)[C@H]2c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.
Authors of publication	Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	13
Pages of publication	2811 - 2814
a	11.62 ± 0.0016 Å
b	11.0673 ± 0.0014 Å
c	21.125 ± 0.003 Å
α	90°
β	98.311 ± 0.004°
γ	90°
Cell volume	2688.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0965
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177636 (current)	2016-03-05	cif/ Updating files of 7118207, 7118208, 7118209, 7118210, 7118211, 7118212 Original log message: Adding full bibliography for 7118207--7118212.cif.	7118207.cif
171855	2016-01-01	cif/ Adding structures of 7118207, 7118208, 7118209, 7118210, 7118211, 7118212 via cif-deposit CGI script.	7118207.cif