Crystallography Open Database

Information card for entry 7125236

Preview

Coordinates	7125236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O4
Calculated formula	C21 H20 N2 O4
Title of publication	Rhodium-catalyzed C-H activation of 3-(indolin-1-yl)-3-oxopropanenitriles with diazo compounds and tandem cyclization leading to hydrogenated azepino[3,2,1-hi]indoles.
Authors of publication	Zhou, Tao; Li, Bin; Wang, Baiquan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	98
Pages of publication	14117 - 14120
a	9.2814 ± 0.0019 Å
b	10.273 ± 0.0019 Å
c	11.8447 ± 0.0019 Å
α	79.305 ± 0.011°
β	79.574 ± 0.012°
γ	83.084 ± 0.012°
Cell volume	1087 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7125236.html