Information card for entry 2206427

Structure parameters

• Chemical name: 5,8'-Dimethoxy-3H-1-benzofuran-2-spiro-2'-chroman
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: O(C)c1cccc2c1OC1(Oc3c(C1)cc(OC)cc3)CC2
• Title of publication: 5,8'-Dimethoxy-3<i>H</i>-1-benzofuran-2-spiro-2'-chroman
• Authors of publication: George R. Clark; Kit Yee Tsang; Margaret A. Brimble
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2748 - o2749
• a: 5.7593 ± 0.0001 Å
• b: 10.6881 ± 0.0001 Å
• c: 12.3122 ± 0.0001 Å
• α: 98.857 ± 0.001°
• β: 100.208 ± 0.001°
• γ: 95.51 ± 0.001°
• Cell volume: 731.05 ± 0.016 ų
• Cell temperature: 84 ± 1 K
• Ambient diffraction temperature: 84 ± 1 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: 0.0512
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes