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Information card for entry 1542885
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| Coordinates | 1542885.cif |
|---|---|
| Structure factors | 1542885.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Benzyloxy-1,1'-biphenyl |
|---|---|
| Formula | C19 H16 O |
| Calculated formula | C19 H16 O |
| SMILES | O(c1ccc(c2ccccc2)cc1)Cc1ccccc1 |
| Title of publication | 4-Benzyloxy-1,1'-biphenyl |
| Authors of publication | Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160398 |
| a | 31.27 ± 0.002 Å |
| b | 5.672 ± 0.0004 Å |
| c | 7.8812 ± 0.0005 Å |
| α | 90° |
| β | 99.271 ± 0.003° |
| γ | 90° |
| Cell volume | 1379.58 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542885.cif 1542885.hkl |
| 178212 | 2016-03-15 | cif/ hkl/ Adding structures of 1542885 via cif-deposit CGI script. |
1542885.cif 1542885.hkl |
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Users of the data should acknowledge the original authors of the
structural data.