Information card for entry 7234722

Structure parameters

• Common name: SSB-10-102
• Chemical name: Nelson04
• Formula: C37 H39 N O4
• Calculated formula: C37 H39 N O4
• Title of publication: Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules
• Authors of publication: Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3995 - 3999
• a: 10.4721 ± 0.0007 Å
• b: 20.8688 ± 0.0013 Å
• c: 14.2792 ± 0.001 Å
• α: 90°
• β: 98.592 ± 0.004°
• γ: 90°
• Cell volume: 3085.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1592
• 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