Information card for entry 1515068

Structure parameters

• Common name: Butyl-linked bis-thymine propamide
• Chemical name: Butyl-linked bis-thymine propamide
• Formula: C20 H30 N6 O7
• Calculated formula: C20 H30 N6 O7
• Title of publication: Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization
• Authors of publication: Johnston, Priscilla; Braybrook, Carl; Saito, Kei
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2301
• a: 22.26 ± 0.003 Å
• b: 22.26 ± 0.003 Å
• c: 4.77 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2363.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.710702 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No