Crystallography Open Database

Information card for entry 7126531

Preview

Coordinates	7126531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O3
Calculated formula	C31 H23 N O3
Title of publication	Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.
Authors of publication	Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	49
Pages of publication	6739 - 6742
a	14.9496 ± 0.0003 Å
b	9.5237 ± 0.0002 Å
c	17.43 ± 0.0004 Å
α	90°
β	111.831 ± 0.001°
γ	90°
Cell volume	2303.64 ± 0.09 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253821 (current)	2020-07-06	cif/ Updating files of 7126531, 7126532 Original log message: Adding full bibliography for 7126531--7126532.cif.	7126531.cif
252032	2020-05-14	cif/ Adding structures of 7126531, 7126532 via cif-deposit CGI script.	7126531.cif