Crystallography Open Database

Information card for entry 1557836

Preview

Coordinates	1557836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H43 Al I2 N2
Calculated formula	C26 H43 Al I2 N2
SMILES	I[Al](I)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
Title of publication	Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Authors of publication	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	18
Pages of publication	4817 - 4827
a	10.145 ± 0.002 Å
b	17.053 ± 0.004 Å
c	17.044 ± 0.003 Å
α	90°
β	102.029 ± 0.008°
γ	90°
Cell volume	2883.9 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0174
Residual factor for significantly intense reflections	0.0151
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0385
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
257388 (current)	2020-10-06	cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif.	1557836.cif
252739	2020-06-05	cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif.	1557836.cif
250995	2020-04-22	cif/ Adding structures of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 via cif-deposit CGI script.	1557836.cif