Crystallography Open Database

Information card for entry 7158347

Preview

Coordinates	7158347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N2 O2
Calculated formula	C17 H14 N2 O2
SMILES	O(c1c2c(NC(=O)c3ncccc3)cccc2ccc1)C
Title of publication	Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.
Authors of publication	Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	46
Pages of publication	10112 - 10119
a	11.631 ± 0.002 Å
b	14.557 ± 0.003 Å
c	15.796 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2674.5 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
271220 (current)	2021-12-07	cif/ Updating files of 7158347 Original log message: Adding full bibliography for 7158347.cif.	7158347.cif
270139	2021-10-29	cif/ Adding structures of 7158347 via cif-deposit CGI script.	7158347.cif