Crystallography Open Database

Information card for entry 1562398

Preview

Coordinates	1562398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.25 H84.87 B4 N9.62
Calculated formula	C95.248 H84.872 B4 N9.624
Title of publication	Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids
Authors of publication	Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
Journal of publication	Chemical Science
Year of publication	2021
a	19.2454 ± 0.0007 Å
b	28.1544 ± 0.0012 Å
c	29.7705 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	16130.9 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265012 (current)	2021-05-07	cif/ Adding structures of 1562390, 1562391, 1562392, 1562393, 1562394, 1562395, 1562396, 1562397, 1562398, 1562399, 1562400, 1562401 via cif-deposit CGI script.	1562398.cif