Information card for entry 1555889

Structure parameters

• Formula: C39 H36 O3
• Calculated formula: C39 H36 O3
• SMILES: C1(=O)c2ccccc2c2c(c(c(c(c12)CCCC)COCc1ccccc1)COCc1ccccc1)c1ccccc1
• Title of publication: Access toward Fluorenone Derivatives through Solvent-Free Ruthenium Trichloride Mediated [2 + 2 + 2] Cycloadditions.
• Authors of publication: Ye, Fei; Haddad, Mansour; Michelet, Véronique; Ratovelomanana-Vidal, Virginie
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5612 - 5615
• a: 15.9124 ± 0.0004 Å
• b: 10.2339 ± 0.0003 Å
• c: 19.2806 ± 0.0005 Å
• α: 90°
• β: 108.253 ± 0.001°
• γ: 90°
• Cell volume: 2981.78 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No