Information card for entry 2212016

Structure parameters

• Chemical name: (RS)-2-(3,4-Methylenedioxyphenyl)-5-phenyl-3,6-dihydro-2H-pyran
• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: O1CC(=CCC1c1cc2OCOc2cc1)c1ccccc1
• Title of publication: (<i>RS</i>)-2-(3,4-Methylenedioxyphenyl)-5-phenyl-3,6-dihydro-2<i>H</i>-pyran
• Authors of publication: Gardiner, Michael G.; Jones, Roderick C.; Mason, Celina M.; Smith, Jason A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o955 - o957
• a: 6.638 ± 0.0013 Å
• b: 7.911 ± 0.01 Å
• c: 13.498 ± 0.005 Å
• α: 81.24 ± 0.05°
• β: 80.21 ± 0.02°
• γ: 82.05 ± 0.04°
• Cell volume: 685.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes