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Information card for entry 4512873
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| Coordinates | 4512873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TB |
|---|---|
| Chemical name | 3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-dichlorobenzene |
| Formula | C51 H52 Cl O4 |
| Calculated formula | C51 H52 Cl O4 |
| 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 | 11.7393 ± 0.0006 Å |
| b | 13.7204 ± 0.0007 Å |
| c | 14.1348 ± 0.0007 Å |
| α | 96.802 ± 0.001° |
| β | 98.737 ± 0.001° |
| γ | 108.618 ± 0.001° |
| Cell volume | 2098.35 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0991 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
4512873.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. |
4512873.cif |
| 134942 | 2015-04-06 | cif/ Adding structures of 4512873 via cif-deposit CGI script. |
4512873.cif |
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Users of the data should acknowledge the original authors of the
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