Information card for entry 7238130

Structure parameters

• Common name: annulated chiro-inositol
• Chemical name: (1R*,2S*,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: 12.559 ± 0.004 Å
• b: 12.916 ± 0.004 Å
• c: 13.86 ± 0.004 Å
• α: 87.959 ± 0.006°
• β: 87.627 ± 0.006°
• γ: 70.606 ± 0.006°
• Cell volume: 2118.3 ± 1.1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No