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Information card for entry 2228723
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| Coordinates | 2228723.cif |
|---|---|
| Structure factors | 2228723.hkl |
| Original IUCr paper | HTML |
| Common name | ptilosarcenone 2.5-hydrate |
|---|---|
| Chemical name | ptilosarcenone 2.5-hydrate |
| Formula | C24 H34 Cl O10.5 |
| Calculated formula | C24 H30 Cl O10.5 |
| Title of publication | The absolute structure of ptilosarcenone 2.5-hydrate, a diterpenoid briarane from the orange sea pen <i>Ptilosarcus gurneyi</i> (Gray) |
| Authors of publication | Nurco, Daniel J.; Conklin, Douglas E.; Shapiro, Nathan S.; Tran, Elaine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o181 - o182 |
| a | 9.8505 ± 0.0004 Å |
| b | 13.5256 ± 0.0006 Å |
| c | 39.3169 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5238.3 ± 0.4 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/87. |
2228723.cif 2228723.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2228723.cif 2228723.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228723.cif 2228723.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. | 2228723.cif 2228723.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228723.cif 2228723.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228723.cif 2228723.hkl |
| 9856 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228723 via cif-deposit CGI script. |
2228723.cif |
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Users of the data should acknowledge the original authors of the
structural data.