Crystallography Open Database

Information card for entry 1576364

Preview

Coordinates	1576364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 B Cl
Calculated formula	C20 H14 B Cl
Title of publication	Boraindenes as versatile precursors to benzannulated boron heterocycles
Authors of publication	Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger
Journal of publication	Chemical Science
Year of publication	2025
a	8.5358 ± 0.0005 Å
b	9.1398 ± 0.0004 Å
c	10.2329 ± 0.0004 Å
α	106.123 ± 0.004°
β	98.243 ± 0.004°
γ	91.855 ± 0.004°
Cell volume	756.81 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.239
Weighted residual factors for all reflections included in the refinement	0.2917
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
304002 (current)	2025-12-03	cif/ Adding structures of 1576364, 1576365, 1576366, 1576367, 1576368, 1576369, 1576370, 1576371, 1576372, 1576373, 1576374, 1576375, 1576376, 1576377, 1576378, 1576379, 1576380, 1576381, 1576382, 1576383, 1576384 via cif-deposit CGI script.	1576364.cif