Crystallography Open Database

Information card for entry 4035019

Preview

Structure parameters

Formula	C32 H24 Br N O
Calculated formula	C32 H24 Br N O
SMILES	Brc1ccc(c2c3c(n(c2c2ccccc2)C)C(c2ccccc2)(c2c(C3=O)cccc2)C)cc1
Title of publication	Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.
Authors of publication	Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2467 - 2472
a	10.9853 ± 0.0002 Å
b	13.3394 ± 0.0002 Å
c	16.8944 ± 0.0002 Å
α	90°
β	93.576 ± 0.001°
γ	90°
Cell volume	2470.84 ± 0.07 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0549
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4035019.html