Crystallography Open Database

Information card for entry 4500074

Preview

Coordinates	4500074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H178 N40 O17 S14
Calculated formula	C144 H88 N40 O13 S11
Title of publication	Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]
Authors of publication	Eric Demers; Thierry Maris; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2005
Journal volume	5
Pages of publication	1227 - 1235
a	13.458 ± 0.002 Å
b	17.788 ± 0.002 Å
c	20.721 ± 0.003 Å
α	81.076 ± 0.008°
β	74.96 ± 0.008°
γ	70.755 ± 0.008°
Cell volume	4509.6 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2289
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179531 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/00.	4500074.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500074.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500074.cif
26818	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 4500073, 4500074 via cif-deposit CGI script.	4500074.cif