Crystallography Open Database

Information card for entry 7127383

Preview

Coordinates	7127383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cl N2 O Rh
Calculated formula	C22 H28 Cl N2 O Rh
SMILES	[Rh]12345(Cl)([N](OC)=C(c6c7ccccc7n(C)c16)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.
Authors of publication	Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13389 - 13392
a	18.1856 ± 0.0005 Å
b	7.4674 ± 0.0002 Å
c	16.226 ± 0.0004 Å
α	90°
β	111.448 ± 0.001°
γ	90°
Cell volume	2050.89 ± 0.09 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
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	0.0181
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260712 (current)	2021-01-07	cif/ Updating files of 7127382, 7127383 Original log message: Adding full bibliography for 7127382--7127383.cif.	7127383.cif
257191	2020-10-06	cif/ Adding structures of 7127382, 7127383 via cif-deposit CGI script.	7127383.cif