Information card for entry 7207440

Structure parameters

• Chemical name: 6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL
• Formula: C27 H39 N O16 S
• Calculated formula: C27 H39 N O16.125 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: 12.401 ± 0.004 Å
• b: 12.587 ± 0.004 Å
• c: 13.25 ± 0.004 Å
• α: 98.697 ± 0.005°
• β: 108.729 ± 0.005°
• γ: 117.919 ± 0.004°
• Cell volume: 1614.4 ± 0.9 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: 0.0836
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No