Crystallography Open Database

Information card for entry 1567632

Preview

Coordinates	1567632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N2 O2
Calculated formula	C25 H30 N2 O2
Title of publication	Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.
Authors of publication	Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	39
Pages of publication	11594 - 11599
a	20.192 ± 0.0008 Å
b	20.192 ± 0.0008 Å
c	11.043 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4502.4 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1518
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
278983 (current)	2022-11-07	cif/ Updating files of 1567630, 1567631, 1567632 Original log message: Adding full bibliography for 1567630--1567632.cif.	1567632.cif
277812	2022-09-14	cif/ Adding structures of 1567630, 1567631, 1567632 via cif-deposit CGI script.	1567632.cif