Information card for entry 4101554

Structure parameters

• Chemical name: 7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid
• Formula: C15 H26 O6
• Calculated formula: C15 H24 O5.754
• Title of publication: Distinct dynamic behaviors of water molecules in hydrated pores.
• Authors of publication: Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 31
• Pages of publication: 10008 - 10009
• a: 35.642 ± 0.005 Å
• b: 35.642 ± 0.005 Å
• c: 6.665 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7332.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No