Crystallography Open Database

Information card for entry 7159103

Preview

Coordinates	7159103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N3 O2
Calculated formula	C20 H15 N3 O2
SMILES	c1cc2c(cc1)n1c(c3cc(ccc3c3c1C(=O)N(C3=O)CC)C)n2
Title of publication	Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.
Authors of publication	Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	8
Pages of publication	1719 - 1724
a	7.6673 ± 0.0018 Å
b	10.263 ± 0.002 Å
c	20.044 ± 0.004 Å
α	90°
β	95.911 ± 0.005°
γ	90°
Cell volume	1568.9 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.0786
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
281557 (current)	2023-03-04	cif/ Updating files of 7159103, 7159104 Original log message: Adding full bibliography for 7159103--7159104.cif.	7159103.cif
280483	2023-01-21	cif/ Adding structures of 7159103, 7159104 via cif-deposit CGI script.	7159103.cif