Crystallography Open Database

Information card for entry 1513247

Preview

Coordinates	1513247.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3a
Formula	C19 H16 N2 O3
Calculated formula	C19 H16 N2 O3
SMILES	O(C(=O)c1ccc(N(O)c2c(c3ncccc3)cccc2)cc1)C
Title of publication	Rhodium-catalyzed direct addition of aryl C-h bonds to nitrosobenzenes at room temperature.
Authors of publication	Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	24
Pages of publication	6302 - 6305
a	6.2622 ± 0.001 Å
b	10.5075 ± 0.0016 Å
c	12.874 ± 0.002 Å
α	82.787 ± 0.012°
β	80.414 ± 0.012°
γ	73.332 ± 0.011°
Cell volume	797.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0915
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513247.cif
92144	2014-01-12	cif/ Adding structures of 1513247 via cif-deposit CGI script.	1513247.cif