Crystallography Open Database

Information card for entry 7122634

Preview

Coordinates	7122634.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	unk
Formula	C2.48 H2.07 N0.14 O0.41
Calculated formula	C2.48276 H2.06897 N0.137931 O0.413793
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	13.692 ± 0.003 Å
b	9.81 ± 0.002 Å
c	21.438 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2879.5 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0661
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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.	7122634.cif
212162	2018-11-24	cif/ Adding structures of 7122632, 7122633, 7122634, 7122635, 7122636, 7122637, 7122638 via cif-deposit CGI script.	7122634.cif