Crystallography Open Database

Information card for entry 4073042

Preview

Coordinates	4073042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H77 Al N2 O Si4
Calculated formula	C47 H77 Al N2 O Si4
SMILES	[Si](C1=C([Si](C)(C)C)C(=O)C2([Al]31[N](c1c(cccc1C(C)C)C(C)C)=C(C=C(N3c1c(cccc1C(C)C)C(C)C)C)C)C([Si](C)(C)C)=C2[Si](C)(C)C)(C)(C)C
Title of publication	A Cyclopropenylaluminum Derivative from Hydrolysis and Alcoholysis of an Aluminacyclobutenone
Authors of publication	Gao, Yihua; Cheng, Xiaoyan; Song, Haibin; Zhang, Jianying; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	6
Pages of publication	1308
a	11.1041 ± 0.0007 Å
b	38.623 ± 0.002 Å
c	12.8542 ± 0.0008 Å
α	90°
β	115.449 ± 0.002°
γ	90°
Cell volume	4977.9 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0583
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178619 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30.	4073042.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073042.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073042.cif
46133	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073042 via cif-deposit CGI script.	4073042.cif