Crystallography Open Database

Information card for entry 7218338

Preview

Coordinates	7218338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 N O
Calculated formula	C18 H13 N O
SMILES	c1cccc2Oc3ccccc3N(c12)c1ccccc1
Title of publication	A General Route for Synthesis of N-Aryl Phenoxazines via Copper(I)-Catalyzed N-, N-, and O-Arylations of 2-Aminophenols
Authors of publication	Liu, Nan; Wang, Bo; Chen, Wenwen; Liu, Chulong; Wang, Xinyan; Hu, Yuefei
Journal of publication	RSC Adv.
Year of publication	2014
a	14.852 ± 0.006 Å
b	10.517 ± 0.004 Å
c	10.225 ± 0.004 Å
α	90°
β	125.15 ± 0.02°
γ	90°
Cell volume	1305.9 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
180514 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83.	7218338.cif
124547	2014-10-04	cif/ Adding structures of 7218338 via cif-deposit CGI script.	7218338.cif