Crystallography Open Database

Information card for entry 4033210

Preview

Coordinates	4033210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 O3
Calculated formula	C30 H28 N2 O3
SMILES	c12ccccc1[C@]1(C(=O)N2)[C@@H](C(=O)OCC)C[C@@H](c2ccc(C)cc2)c2c1n(C)c1c2cccc1.c12ccccc1[C@@]1(C(=O)N2)[C@H](C(=O)OCC)C[C@H](c2ccc(C)cc2)c2c1n(C)c1c2cccc1
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	12.755 ± 0.004 Å
b	17.504 ± 0.005 Å
c	12.366 ± 0.004 Å
α	90°
β	104.956 ± 0.011°
γ	90°
Cell volume	2667.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.2485
Residual factor for significantly intense reflections	0.1434
Weighted residual factors for significantly intense reflections	0.3515
Weighted residual factors for all reflections included in the refinement	0.3997
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
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.	4033210.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.	4033210.cif