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Information card for entry 2232688
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| Coordinates | 2232688.cif |
|---|---|
| Structure factors | 2232688.hkl |
| Original IUCr paper | HTML |
| Chemical name | [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone |
|---|---|
| Formula | C34 H36 O6 |
| Calculated formula | C34 H36 O6 |
| SMILES | CCCCOc1ccc(cc1)C(=O)c1c(OC)ccc2c1c(c(cc2)OC)C(=O)c1ccc(cc1)OCCCC |
| Title of publication | [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone |
| Authors of publication | Sasagawa, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3354 |
| a | 11.093 ± 0.0002 Å |
| b | 20.0537 ± 0.0003 Å |
| c | 13.1409 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2923.27 ± 0.08 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232688.cif 2232688.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. |
2232688.cif 2232688.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232688.cif 2232688.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. | 2232688.cif 2232688.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232688.cif 2232688.hkl |
| 31566 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232688 via cif-deposit CGI script. |
2232688.cif |
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Users of the data should acknowledge the original authors of the
structural data.