Crystallography Open Database

Information card for entry 1577393

Preview

Coordinates	1577393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 B S
Calculated formula	C28 H27 B S
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	12.1969 ± 0.0005 Å
b	9.4547 ± 0.0004 Å
c	19.6469 ± 0.0007 Å
α	90°
β	94.155 ± 0.003°
γ	90°
Cell volume	2259.69 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0736
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	1577393.cif