Information card for entry 1567725

Structure parameters

• Formula: C26 H26 F N2 O
• Calculated formula: C26 H26 F N2 O
• Title of publication: Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis
• Authors of publication: Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 42
• Pages of publication: 12503 - 12510
• a: 11.1117 ± 0.0002 Å
• b: 20.386 ± 0.0003 Å
• c: 9.6205 ± 0.0001 Å
• α: 90°
• β: 107.152 ± 0.002°
• γ: 90°
• Cell volume: 2082.34 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No