Information card for entry 7238129

Structure parameters

• Common name: annulated myo-inositol
• Chemical name: (1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol
• Formula: C10 H18 O6
• Calculated formula: C10 H18 O6
• Title of publication: Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’
• Authors of publication: Mehta, Goverdhan; Sen, Saikat
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 109
• Pages of publication: 656
• a: 6.1134 ± 0.0013 Å
• b: 7.6139 ± 0.0013 Å
• c: 11.668 ± 0.002 Å
• α: 102.319 ± 0.003°
• β: 97.916 ± 0.003°
• γ: 91.829 ± 0.002°
• Cell volume: 524.49 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No