Crystallography Open Database

Information card for entry 4084815

Preview

Coordinates	4084815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H46 Al N O Si2
Calculated formula	C22 H46 Al N O Si2
SMILES	[Si](N([Si](C)(C)C)[Al]1([O]2CCCC2)C(=C(C(=C1CC)CC)CC)CC)(C)(C)C
Title of publication	Syntheses and Structures of Stable 1-Aminoalumole Derivatives
Authors of publication	Agou, Tomohiro; Wasano, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6963
a	10.6677 ± 0.0002 Å
b	16.6123 ± 0.0003 Å
c	15.1293 ± 0.0003 Å
α	90°
β	99.843 ± 0.0013°
γ	90°
Cell volume	2641.67 ± 0.09 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.0347
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178737 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48.	4084815.cif
131485	2015-02-08	cif/ Updating files of 4084814, 4084815 Original log message: Adding full bibliography for 4084814--4084815.cif.	4084815.cif
127748	2014-11-21	cif/ Adding structures of 4084814, 4084815 via cif-deposit CGI script.	4084815.cif