Information card for entry 1553310

Structure parameters

• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• SMILES: O(C)c1ccc2cc1Oc1ccc(cc1)CCC=CC=CC2
• Title of publication: Total Synthesis of Tedarene A.
• Authors of publication: Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 1623 - 1630
• a: 9.0364 ± 0.0003 Å
• b: 8.1877 ± 0.0003 Å
• c: 10.7482 ± 0.0003 Å
• α: 90°
• β: 101.86 ± 0.0012°
• γ: 90°
• Cell volume: 778.25 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No