Information card for entry 1574997

Structure parameters

• Formula: C21 H20 N2 O5
• Calculated formula: C21 H20 N2 O5
• Title of publication: Structural disorder as a key to photoprotection in eumelanin multimers.
• Authors of publication: Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 14304 - 14313
• a: 14.018 ± 0.003 Å
• b: 17.554 ± 0.003 Å
• c: 7.8113 ± 0.0015 Å
• α: 90°
• β: 104.941 ± 0.005°
• γ: 90°
• Cell volume: 1857.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1613
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No