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Information card for entry 2237372
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| Coordinates | 2237372.cif |
|---|---|
| Structure factors | 2237372.hkl |
| Original IUCr paper | HTML |
| Common name | 2,7-Diisopropoxy-1,8-bis(4-phenoxybenzoyl)naphthalene |
|---|---|
| Chemical name | [8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4- phenoxyphenyl)methanone |
| Formula | C42 H36 O6 |
| Calculated formula | C42 H36 O6 |
| SMILES | CC(Oc1ccc2c(c1C(=O)c1ccc(cc1)Oc1ccccc1)c(c(cc2)OC(C)C)C(=O)c1ccc(cc1)Oc1ccccc1)C |
| Title of publication | [8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4-phenoxyphenyl)methanone |
| Authors of publication | Yoshiwaka, Sayaka; Hijikata, Daichi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o242 |
| a | 22.7084 ± 0.0004 Å |
| b | 10.3582 ± 0.0002 Å |
| c | 14.7152 ± 0.0003 Å |
| α | 90° |
| β | 100.106 ± 0.001° |
| γ | 90° |
| Cell volume | 3407.58 ± 0.11 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| 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 |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237372.cif 2237372.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. |
2237372.cif 2237372.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. | 2237372.cif 2237372.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237372.cif 2237372.hkl |
| 75388 | 2013-03-09 | cif/ Adding structures of 2237372 via cif-deposit CGI script. |
2237372.cif |
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Users of the data should acknowledge the original authors of the
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