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Information card for entry 2237454
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| Coordinates | 2237454.cif |
|---|---|
| Structure factors | 2237454.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3<i>E</i>)-11,16-Dioxatricyclo[15.4.0.0^5,10^]henicosa-1(21),3,5,7,9,17,19- heptaen-2-one |
|---|---|
| Formula | C19 H14 O3 |
| Calculated formula | C19 H18.001 O3.001 |
| Title of publication | (3<i>E</i>)-11,16-Dioxatricyclo[15.4.0.0^5,10^]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one |
| Authors of publication | Ganesh, Gnanavelu; Purushothaman, Santhanagopalan; Kannan, Piskala Subburaman; Raghunathan, Raghavachary; SubbiahPandi, Arunachalathevar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o442 |
| a | 9.0976 ± 0.0006 Å |
| b | 16.9797 ± 0.0011 Å |
| c | 17.2713 ± 0.0009 Å |
| α | 62.59 ± 0.002° |
| β | 88.44 ± 0.002° |
| γ | 78.092 ± 0.002° |
| Cell volume | 2310.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (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 2/23/74. |
2237454.cif 2237454.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. |
2237454.cif 2237454.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237454.cif 2237454.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237454.cif 2237454.hkl |
| 78734 | 2013-04-02 | cif/ Adding structures of 2237454 via cif-deposit CGI script. |
2237454.cif |
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Users of the data should acknowledge the original authors of the
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