Information card for entry 2205551

Structure parameters

• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: O1C2(Oc3c(C2)cc(OC)cc3)CCc2c1cccc2
• Title of publication: 5-Methoxyspiro[1-benzofuran-2(3<i>H</i>),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: 4
• Pages of publication: o1123 - o1124
• a: 10.3982 ± 0.0007 Å
• b: 5.7749 ± 0.0004 Å
• c: 11.248 ± 0.0008 Å
• α: 90°
• β: 96.132 ± 0.001°
• γ: 90°
• Cell volume: 671.56 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes