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Information card for entry 2230138
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| Coordinates | 2230138.cif |
|---|---|
| Structure factors | 2230138.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone |
|---|---|
| Formula | C26 H20 O4 |
| Calculated formula | C26 H20 O4 |
| SMILES | COc1cc2c(cc1C(=O)c1ccccc1)ccc(c2C(=O)c1ccccc1)OC |
| Title of publication | (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone |
| Authors of publication | Kato, Yuichi; Nagasawa, Atsushi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1250 |
| a | 8.42828 ± 0.00015 Å |
| b | 12.5953 ± 0.0002 Å |
| c | 20.0578 ± 0.0004 Å |
| α | 96.222 ± 0.001° |
| β | 99.688 ± 0.001° |
| γ | 102.727 ± 0.001° |
| Cell volume | 2023.77 ± 0.06 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/01. |
2230138.cif 2230138.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230138.cif 2230138.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230138.cif 2230138.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230138.cif 2230138.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230138.cif 2230138.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230138.cif 2230138.hkl |
| 20211 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230138 via cif-deposit CGI script. |
2230138.cif |
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Users of the data should acknowledge the original authors of the
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