Information card for entry 7132691

Structure parameters

• Formula: C33 H21 F O
• Calculated formula: C33 H21 F O
• SMILES: Fc1ccc(/C=C2/c3c(cccc3)C(=C2)c2ccc3c(cccc3)c2c2ccccc2C=O)cc1
• Title of publication: Asymmetric 1,2-diaxial synthesis of bi-(hetero)aryl benzofulvene atropisomers <i>via</i> transient directing group-assisted dehydrogenative coupling.
• Authors of publication: Hore, Soumyadip; Singh, Abhijeet; Singh, Ravi P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 18
• Pages of publication: 2524 - 2527
• a: 8.733 ± 0.003 Å
• b: 16.125 ± 0.007 Å
• c: 16.631 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342 ± 1.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No