Information card for entry 2221752

Structure parameters

• Chemical name: Cyclohexane-1,2,3,4,5-pentol
• Formula: C6 H12 O5
• Calculated formula: C6 H12 O5
• SMILES: [C@@H]1(C([C@@H]([C@H](C[C@@H]1O)O)O)O)O
• Title of publication: Cyclohexane-1,2,3,4,5-pentol
• Authors of publication: Ganesh, G.; Sivaraj, C.; Kannan, P. S.; Raaman, N.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1114
• a: 6.4727 ± 0.0005 Å
• b: 8.4851 ± 0.0006 Å
• c: 6.8249 ± 0.0005 Å
• α: 90°
• β: 110.796 ± 0.002°
• γ: 90°
• Cell volume: 350.41 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes