Crystallography Open Database

Information card for entry 7126514

Preview

Coordinates	7126514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N2 O P
Calculated formula	C16 H11 N2 O P
SMILES	P1(=O)(c2c(c3c1cncc3)ccnc2)c1ccccc1
Title of publication	Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.
Authors of publication	Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	45
Pages of publication	6035 - 6038
a	7.692 ± 0.004 Å
b	9.588 ± 0.006 Å
c	10.081 ± 0.007 Å
α	88.33 ± 0.02°
β	72.47 ± 0.02°
γ	67.903 ± 0.014°
Cell volume	653.9 ± 0.7 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253827 (current)	2020-07-06	cif/ Updating files of 7126511, 7126512, 7126513, 7126514, 7126515 Original log message: Adding full bibliography for 7126511--7126515.cif.	7126514.cif
251962	2020-05-12	cif/ Adding structures of 7126511, 7126512, 7126513, 7126514, 7126515 via cif-deposit CGI script.	7126514.cif