Crystallography Open Database

Information card for entry 7064403

Preview

Coordinates	7064403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 O2
Calculated formula	C15 H14 O2
Title of publication	Facile and direct synthesis of 1-phenyl-substituted β-benzofused oxygen heterocycles from benzoxaboroles and salicylaldehydes under amine catalysis
Authors of publication	Yang, Xiaoning; Wu, Shuyan; Wang, Jiayi; Peng, Yanqing; Song, Gonghua
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	21
Pages of publication	8962 - 8968
a	8.311 ± 0.0002 Å
b	16.9374 ± 0.0004 Å
c	8.916 ± 0.0002 Å
α	90°
β	103.736 ± 0.001°
γ	90°
Cell volume	1219.18 ± 0.05 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	3
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	0.0482
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
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
306475 (current)	2026-06-05	cif/ Updating files of 7064403 Original log message: Adding full bibliography for 7064403.cif.	7064403.cif
305897	2026-05-08	cif/ Adding structures of 7064403 via cif-deposit CGI script.	7064403.cif