Information card for entry 7207441

Structure parameters

• Chemical name: 1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL
• Formula: C28.25 H40.5 O14.75 S
• Calculated formula: C28.25 H40.5 O14.755 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: 13.597 ± 0.004 Å
• b: 14.351 ± 0.004 Å
• c: 17.818 ± 0.005 Å
• α: 90°
• β: 91.466 ± 0.005°
• γ: 90°
• Cell volume: 3475.7 ± 1.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No