Information card for entry 2003395

Structure parameters

• Formula: C28 H30 O10
• Calculated formula: C28 H30 O10
• SMILES: CC(=O)OC[C@@H]1O[C@H](O[C@H]2CCCC#Cc3c(C#C2)cccc3)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: (1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one
• Authors of publication: Cousson, A.; Dancy, I.; Beau, J.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 718 - 721
• a: 31.1 ± 0.01 Å
• b: 9.452 ± 0.005 Å
• c: 9.507 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795 ± 2 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No