Crystallography Open Database

Information card for entry 4110354

Preview

Coordinates	4110354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H71 N9 O18 P2
Calculated formula	C66 H69 N9 O18 P2
Title of publication	Polyhydroxylated Sapphyrins: Multisite Non-metallic Catalysts for Activated Phosphodiester Hydrolysis
Authors of publication	Vladimír Král; Kamil Lang; Jarmila Králová; Michal Dvořák; Pavel Martásek; Aileen O. Chin; Andrei Andrievsky; Vincent Lynch; Jonathan L. Sessler
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	432 - 437
a	10.116 ± 0.005 Å
b	11.457 ± 0.005 Å
c	27.94 ± 0.02 Å
α	85.3 ± 0.05°
β	80.73 ± 0.05°
γ	79.2 ± 0.04°
Cell volume	3135 ± 3 Å³
Cell temperature	188 K
Ambient diffraction temperature	188 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.22
Goodness-of-fit parameter for all reflections included in the refinement	1.54
Diffraction radiation probe	x-ray
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
178874 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03.	4110354.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110354.cif
59150	2012-06-04	cif/ Adding structures of 4110354 via cif-deposit CGI script.	4110354.cif