Crystallography Open Database

Information card for entry 1577391

Preview

Coordinates	1577391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 B O
Calculated formula	C28 H27 B O
Title of publication	Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles
Authors of publication	Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen
Journal of publication	Chemical Science
Year of publication	2026
a	10.7958 ± 0.0003 Å
b	15.2749 ± 0.0004 Å
c	14.0351 ± 0.0004 Å
α	90°
β	108.852 ± 0.003°
γ	90°
Cell volume	2190.3 ± 0.11 Å³
Cell temperature	276.36 ± 0.1 K
Ambient diffraction temperature	276.36 ± 0.1 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	0.0543
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
306559 (current)	2026-06-12	cif/ Adding structures of 1577391, 1577392, 1577393, 1577394, 1577395, 1577396, 1577397, 1577398 via cif-deposit CGI script.	1577391.cif