Crystallography Open Database

Information card for entry 1515790

Preview

Coordinates	1515790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 O4.5 P
Calculated formula	C50 H58 O4.5 P
Title of publication	Asymmetric Brønsted acid catalysis in aqueous solution
Authors of publication	Rueping, Magnus; Theissmann, Thomas
Journal of publication	Chemical Science
Year of publication	2010
Journal volume	1
Journal issue	4
Pages of publication	473
a	16.2608 ± 0.0016 Å
b	16.2608 ± 0.0016 Å
c	34.648 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9161.4 ± 1.8 Å³
Cell temperature	167 ± 2 K
Ambient diffraction temperature	167 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.296
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515790.cif
112255	2014-04-30	cif/ Adding structures of 1515790, 1515791 via cif-deposit CGI script.	1515790.cif