Crystallography Open Database

Information card for entry 7710925

Preview

Coordinates	7710925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H211 Al4 N4 Si16
Calculated formula	C112 H196 Al4 N4 Si16
SMILES	[Si](C([Si](C)(C)C)[Al]([n]1ccccc1)(/C=C/c1c2[C@@H]3c4cccc(c4[C@H](c2ccc1)[C@@H]1c2c([C@H]3c3c(cccc13)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc2/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C)(C)C.[Si](C([Si](C)(C)C)[Al]([n]1ccccc1)(/C=C/c1c2[C@H]3c4cccc(c4[C@@H](c2ccc1)[C@H]1c2c([C@@H]3c3c(cccc13)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc2/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(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	30.0412 ± 0.0003 Å
b	20.17214 ± 0.00013 Å
c	25.6654 ± 0.0003 Å
α	90°
β	108.098 ± 0.0012°
γ	90°
Cell volume	14783.6 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.1 ± 0.1 K
Number of distinct elements	5
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	0.0758
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7710925.cif