Information card for entry 2003396

Structure parameters

• Formula: C14 H10 O
• Calculated formula: C14 H10 O
• SMILES: O=C1CCCC#Cc2c(C#C1)cccc2
• 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: 18.548 ± 0.009 Å
• b: 11.886 ± 0.005 Å
• c: 9.393 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.8 ± 1.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.028
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No