Crystallography Open Database

Information card for entry 4033198

Preview

Coordinates	4033198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 F3 N O4
Calculated formula	C26 H26 F3 N O4
Title of publication	Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.
Authors of publication	Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	24
Pages of publication	13342 - 13347
a	14.1234 ± 0.0008 Å
b	10.611 ± 0.0012 Å
c	15.8504 ± 0.0012 Å
α	90°
β	105.486 ± 0.006°
γ	90°
Cell volume	2289.2 ± 0.3 Å³
Cell temperature	100.3 K
Ambient diffraction temperature	100.3 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204817 (current)	2018-01-06	cif/ Updating files of 4033198 Original log message: Adding full bibliography for 4033198.cif.	4033198.cif
203457	2017-11-23	cif/ Adding structures of 4033198 via cif-deposit CGI script.	4033198.cif