Crystallography Open Database

Information card for entry 4033221

Preview

Coordinates	4033221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H29 Cl N2 O3
Calculated formula	C35 H29 Cl N2 O3
Title of publication	TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.
Authors of publication	Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	24
Pages of publication	13277 - 13287
a	35.6802 ± 0.0016 Å
b	8.9154 ± 0.0004 Å
c	25.3738 ± 0.0013 Å
α	90°
β	125.393 ± 0.0012°
γ	90°
Cell volume	6579.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
204807 (current)	2018-01-06	cif/ Updating files of 4033209, 4033210, 4033211, 4033212, 4033213, 4033214, 4033215, 4033216, 4033217, 4033218, 4033219, 4033220, 4033221 Original log message: Adding full bibliography for 4033209--4033221.cif.	4033221.cif
203649	2017-11-28	cif/ Adding structures of 4033209, 4033210, 4033211, 4033212, 4033213, 4033214, 4033215, 4033216, 4033217, 4033218, 4033219, 4033220, 4033221 via cif-deposit CGI script.	4033221.cif