Crystallography Open Database

Information card for entry 1501598

Preview

Coordinates	1501598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N3 O10 P
Calculated formula	C24 H24 N3 O10 P
SMILES	P(=O)(c1ccc(=O)[nH]c1)(c1c[nH]c(=O)cc1)c1c[nH]c(=O)cc1.OC(=O)C=C.OC(=O)C=C.OC(=O)C=C
Title of publication	Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets
Authors of publication	Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest
Journal of publication	Angew. Chem. Int. Ed.
Year of publication	2005
Journal volume	44
Pages of publication	4021 - 4025
a	17.4823 ± 0.0008 Å
b	17.4823 ± 0.0008 Å
c	5.0683 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1341.5 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2542
Weighted residual factors for all reflections included in the refinement	0.2886
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501598.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501598.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501598.cif
26816	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 1501596, 1501597, 1501598 via cif-deposit CGI script.	1501598.cif