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Information card for entry 2237178
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| Coordinates | 2237178.cif |
|---|---|
| Structure factors | 2237178.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,7-Dimethoxy-8-(4-methoxybenzoyl)naphthalen-1-yl](4-methoxyphenyl)methanone chloroform monosolvate |
|---|---|
| Formula | C29 H25 Cl3 O6 |
| Calculated formula | C29 H25 Cl3 O6 |
| SMILES | ClC(Cl)Cl.COc1ccc2c(c1C(=O)c1ccc(cc1)OC)c(c(cc2)OC)C(=O)c1ccc(cc1)OC |
| Title of publication | [2,7-Dimethoxy-8-(4-methoxybenzoyl)naphthalen-1-yl](4-methoxyphenyl)methanone chloroform monosolvate |
| Authors of publication | Sasagawa, Kosuke; Sakamoto, Rei; Kusakabe, Taro; Okamoto, Akiko; Yonezawa, Noriyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o146 |
| a | 8.2781 ± 0.0002 Å |
| b | 21.4763 ± 0.0005 Å |
| c | 15.537 ± 0.0004 Å |
| α | 90° |
| β | 98.448 ± 0.002° |
| γ | 90° |
| Cell volume | 2732.24 ± 0.12 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (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 2/23/71. |
2237178.cif 2237178.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. |
2237178.cif 2237178.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237178.cif 2237178.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. | 2237178.cif 2237178.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237178.cif 2237178.hkl |
| 73399 | 2013-02-20 | cif/ Adding structures of 2237178 via cif-deposit CGI script. |
2237178.cif |
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Users of the data should acknowledge the original authors of the
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