Information card for entry 7207438

Structure parameters

• Chemical name: 6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL
• Formula: C26 H36.5 Cl0.5 O14 S
• Calculated formula: C26.125 H36.25 Cl0.25 O14 S
• Title of publication: Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions
• Authors of publication: Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1716
• a: 11.499 ± 0.005 Å
• b: 11.793 ± 0.005 Å
• c: 12.374 ± 0.005 Å
• α: 94.564 ± 0.007°
• β: 101.799 ± 0.007°
• γ: 105.126 ± 0.007°
• Cell volume: 1569.9 ± 1.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No