Crystallography Open Database

Information card for entry 7122638

Preview

Coordinates	7122638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 N O2
Calculated formula	C16 H9 N O2
Title of publication	Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.
Authors of publication	Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	100
Pages of publication	14081 - 14084
a	3.9089 ± 0.0013 Å
b	23.323 ± 0.008 Å
c	12.35 ± 0.004 Å
α	90°
β	94.388 ± 0.004°
γ	90°
Cell volume	1122.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
228526 (current)	2019-11-17	cif/ Updating files of 7122632, 7122633, 7122634, 7122635, 7122636, 7122637, 7122638 Original log message: Adding full bibliography for 7122632--7122638.cif.	7122638.cif
212162	2018-11-24	cif/ Adding structures of 7122632, 7122633, 7122634, 7122635, 7122636, 7122637, 7122638 via cif-deposit CGI script.	7122638.cif