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Information card for entry 1506897
Preview
| Coordinates | 1506897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid |
|---|---|
| Formula | C15 H20 O5 |
| Calculated formula | C15 H20 O5 |
| SMILES | O1[C@@]2(CCC[C@](C2)(C(=O)O)C1(C1CC1)C1CC1)C(=O)O.O1[C@]2(CCC[C@@](C2)(C(=O)O)C1(C1CC1)C1CC1)C(=O)O |
| Title of publication | Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores. |
| Authors of publication | Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 877 - 880 |
| a | 8 ± 0.0005 Å |
| b | 8.006 ± 0.0005 Å |
| c | 12.842 ± 0.0008 Å |
| α | 96.645 ± 0.0019° |
| β | 92.52 ± 0.002° |
| γ | 119.6 ± 0.003° |
| Cell volume | 705.47 ± 0.08 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506897.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506897.cif |
| 51530 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506896, 1506897, 1506898, 1506899, 1506900, 1506901 via cif-deposit CGI script. |
1506897.cif |
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Users of the data should acknowledge the original authors of the
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