Crystallography Open Database

Information card for entry 7122637

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Coordinates	7122637.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	unk
Formula	C16 H12 N2 O3
Calculated formula	C16 H12 N2 O3
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	5.4752 ± 0.0008 Å
b	17.649 ± 0.002 Å
c	13.8907 ± 0.0017 Å
α	90°
β	94.311 ± 0.015°
γ	90°
Cell volume	1338.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1361
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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.	7122637.cif
212162	2018-11-24	cif/ Adding structures of 7122632, 7122633, 7122634, 7122635, 7122636, 7122637, 7122638 via cif-deposit CGI script.	7122637.cif