Information card for entry 2208232

Structure parameters

• Chemical name: 8'-Methoxy-3H-spiro[1-naphthofuran-2,2'-chromane]
• Formula: C21 H18 O3
• Calculated formula: C21 H18 O3
• SMILES: O(c1cccc2c1OC1(Oc3c(C1)c1c(cc3)cccc1)CC2)C
• Title of publication: 8'-Methoxy-3<i>H</i>-spiro[1-naphthofuran-2,2'-chroman]
• Authors of publication: George R. Clark; Kit Yee Tsang; Margaret A. Brimble
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1075 - o1076
• a: 5.9858 ± 0.0001 Å
• b: 13.2104 ± 0.0002 Å
• c: 20.4727 ± 0.0003 Å
• α: 90°
• β: 97.066 ± 0.001°
• γ: 90°
• Cell volume: 1606.58 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes