Crystallography Open Database

Information card for entry 1570784

Preview

Coordinates	1570784.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	375
Formula	C15 H12 N2 O3
Calculated formula	C15 H12 N2 O3
Title of publication	Nitrogen atom insertion into arenols to access benzazepines.
Authors of publication	He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	7
Pages of publication	2612 - 2617
a	7.7369 ± 0.0006 Å
b	9.7927 ± 0.0009 Å
c	16.8291 ± 0.0016 Å
α	90°
β	100.727 ± 0.004°
γ	90°
Cell volume	1252.78 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1478
Residual factor for significantly intense reflections	0.0935
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.3017
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290127 (current)	2024-03-04	cif/ Updating files of 1570782, 1570783, 1570784 Original log message: Adding full bibliography for 1570782--1570784.cif.	1570784.cif
289099	2024-01-17	cif/ Adding structures of 1570782, 1570783, 1570784 via cif-deposit CGI script.	1570784.cif