Information card for entry 2007458

Structure parameters

• Chemical name: cis,anti-7-phenyl-7a,8,9,10a-tetrahydro-6H,7H-furo[3',2':5,6]pyrano[3,2-c][1] benzopyran-6-one
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: O1[C@@H]2[C@H]([C@@H](c3c(=O)oc4ccccc4c13)c1ccccc1)CCO2
• Title of publication: Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
• Authors of publication: Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 1042 - 1047
• a: 8.664 ± 0.001 Å
• b: 10.64 ± 0.002 Å
• c: 8.822 ± 0.001 Å
• α: 90°
• β: 108.38 ± 0.01°
• γ: 90°
• Cell volume: 771.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 1.114
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No