Information card for entry 7200982

Structure parameters

• Formula: C20 H26 O7
• Calculated formula: C20 H26 O7
• SMILES: c1(c(cccc1)O)/C=C/C(=O)C[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](CO[C@H](CCC)O2)O1)O)O
• Title of publication: Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture
• Authors of publication: Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 4587
• a: 4.9409 ± 0.0007 Å
• b: 33.746 ± 0.005 Å
• c: 5.7154 ± 0.0009 Å
• α: 90°
• β: 101.967 ± 0.009°
• γ: 90°
• Cell volume: 932.3 ± 0.2 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: 0.0437
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No