Information card for entry 1506901

Structure parameters

• Chemical name: (±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid carbon tetrachloride solvate
• Formula: C20 H20 O5
• Calculated formula: C16 H20 Cl4 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: 7.967 ± 0.0004 Å
• b: 26.203 ± 0.0017 Å
• c: 19.314 ± 0.0013 Å
• α: 90°
• β: 100.247 ± 0.003°
• γ: 90°
• Cell volume: 3967.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1581
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No