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Information card for entry 4500081
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Coordinates | 4500081.cif |
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Common name | Tetrakis(3-hydroxyphenyl)silane |
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Formula | C24 H20 O4 Si |
Calculated formula | C24 H20 O4 Si |
SMILES | c1(cc(ccc1)O)[Si](c1cc(ccc1)O)(c1cc(ccc1)O)c1cc(ccc1)O |
Title of publication | Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane |
Authors of publication | Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest |
Journal of publication | Cryst. Growth & Design |
Year of publication | 2003 |
Journal volume | 2 |
Pages of publication | 535 - 540 |
a | 17.1641 ± 0.0002 Å |
b | 17.1641 ± 0.0002 Å |
c | 7.2676 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2141.08 ± 0.05 Å3 |
Cell temperature | 226 K |
Ambient diffraction temperature | 226 K |
Number of distinct elements | 4 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1319 |
Weighted residual factors for all reflections included in the refinement | 0.1321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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. |
4500081.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4500081.cif |
26826 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4500081, 4500082, 4500083 via cif-deposit CGI script. |
4500081.cif |
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Users of the data should acknowledge the original authors of the
structural data.