Crystallography Open Database

Information card for entry 7049238

Preview

Coordinates	7049238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H49 Al2 N5 S
Calculated formula	C40 H49 Al2 N5 S
Title of publication	Synthesis of helical aluminium catalysts for cyclic carbonate formation.
Authors of publication	Gaona, Miguel A.; de la Cruz-Martínez, Felipe; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Alonso-Moreno, Carlos; Rodríguez, Ana M; Rodríguez-Diéguez, Antonio; Castro-Osma, José A; Otero, Antonio; Lara-Sánchez, Agustín
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4218 - 4227
a	16.119 ± 0.005 Å
b	24.785 ± 0.005 Å
c	21.326 ± 0.004 Å
α	90°
β	115.151 ± 0.016°
γ	90°
Cell volume	7712 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1092
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
224270 (current)	2019-11-08	cif/ Updating files of 7049238 Original log message: Adding full bibliography for 7049238.cif.	7049238.cif
213966	2019-03-05	cif/ Adding structures of 7049238 via cif-deposit CGI script.	7049238.cif