Information card for entry 1506896

Structure parameters

• 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: 8.123 ± 0.0012 Å
• b: 8.1163 ± 0.0011 Å
• c: 13.096 ± 0.002 Å
• α: 102.015 ± 0.01°
• β: 87.435 ± 0.006°
• γ: 119.834 ± 0.015°
• Cell volume: 730.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.2721
• Weighted residual factors for all reflections included in the refinement: 0.2923
• 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: No