Information card for entry 1571935

Structure parameters

• Formula: C18 H29 N O2
• Calculated formula: C18 H29 N O2
• Title of publication: Unlocking flavin photoacid catalysis through electrophotochemistry.
• Authors of publication: Gary, Samuel; Woolley, Jack; Goia, Sofia; Bloom, Steven
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11444 - 11454
• a: 7.1686 ± 0.0003 Å
• b: 10.0266 ± 0.0004 Å
• c: 22.71 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.32 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.05
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No