Crystallography Open Database

Information card for entry 7710923

Preview

Coordinates	7710923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20
Calculated formula	C36 H20
SMILES	c1(c2[C@H]3c4cccc(c4[C@@H](c2ccc1)[C@H]1c2c([C@@H]3c3c(cccc13)C#C)cccc2C#C)C#C)C#C
Title of publication	Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives
Authors of publication	Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.97671 ± 0.00017 Å
b	15.5959 ± 0.0003 Å
c	10.1573 ± 0.0002 Å
α	90°
β	105.596 ± 0.002°
γ	90°
Cell volume	1217.08 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	2
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277157 (current)	2022-08-09	cif/ Adding structures of 7710915, 7710916, 7710917, 7710918, 7710919, 7710920, 7710921, 7710922, 7710923, 7710924, 7710925, 7710926 via cif-deposit CGI script.	7710923.cif