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Information card for entry 4512874
Preview
Coordinates | 4512874.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-hydroxybenzaldehyde |
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Formula | C103 H106 O10 |
Calculated formula | C103 H106 O10 |
Title of publication | Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility |
Authors of publication | Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 2129 |
a | 11.554 ± 0.006 Å |
b | 13.665 ± 0.007 Å |
c | 14.373 ± 0.008 Å |
α | 91.055 ± 0.011° |
β | 99.128 ± 0.01° |
γ | 107.762 ± 0.012° |
Cell volume | 2128 ± 2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2461 |
Residual factor for significantly intense reflections | 0.1162 |
Weighted residual factors for significantly intense reflections | 0.2725 |
Weighted residual factors for all reflections included in the refinement | 0.3955 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179676 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28. |
4512874.cif |
138068 | 2015-06-05 | cif/ Updating files of 4512869, 4512870, 4512871, 4512872, 4512873, 4512874, 4512875, 4512876, 4512877, 4512878 Original log message: Adding full bibliography for 4512869--4512878.cif. |
4512874.cif |
134945 | 2015-04-06 | cif/ Adding structures of 4512874 via cif-deposit CGI script. |
4512874.cif |
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Users of the data should acknowledge the original authors of the
structural data.