Crystallography Open Database

Information card for entry 4072905

Preview

Coordinates	4072905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53 Al N2 O4 S2
Calculated formula	C46 H53 Al N2 O4 S2
SMILES	S1(O[Al]2(OS(=O)(=[N]2c2c(cccc2C(C)C)C(C)C)c2ccc(cc2)C)([N]=1c1c(cccc1C(C)C)C(C)C)C#Cc1ccccc1)(=O)c1ccc(cc1)C
Title of publication	Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride
Authors of publication	Zhao, Jian; Song, Haibin; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1947
a	40.2284 ± 0.0005 Å
b	40.2284 ± 0.0005 Å
c	10.693 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	17304.7 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178618 (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 4/07/29.	4072905.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072905.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072905.cif
46066	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072905 via cif-deposit CGI script.	4072905.cif