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Information card for entry 1506900
Preview
Coordinates | 1506900.cif |
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Original paper (by DOI) | HTML |
Chemical name | (±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid chloroform solvate |
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Formula | C15.25 H20.25 Cl0.75 O5 |
Calculated formula | C15.125 H20.25 Cl0.625 O5 |
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 | 8.497 ± 0.002 Å |
b | 12.436 ± 0.003 Å |
c | 16.119 ± 0.004 Å |
α | 96.498 ± 0.012° |
β | 104.91 ± 0.005° |
γ | 109.739 ± 0.015° |
Cell volume | 1511.3 ± 0.7 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1184 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.203 |
Weighted residual factors for all reflections included in the refinement | 0.2326 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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