Information card for entry 2240140

Structure parameters

• Chemical name: 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione
• Formula: C26 H20 O5
• Calculated formula: C26 H20 O5
• SMILES: O(c1ccc2c(c1)CCc1c3c(c4CCc5cc(OC)ccc5c4c21)C(=O)OC3=O)C
• Title of publication: Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione
• Authors of publication: Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao; Sahasithiwat, Somboon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 418 - 420
• a: 8.757 ± 0.0009 Å
• b: 15.9008 ± 0.0016 Å
• c: 16.2987 ± 0.0016 Å
• α: 61.695 ± 0.003°
• β: 84.535 ± 0.003°
• γ: 84.46 ± 0.003°
• Cell volume: 1985.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes