Information card for entry 4035439

Structure parameters

• Formula: C26 H36 N4 O7 S
• Calculated formula: C26 H36 N4 O7 S
• Title of publication: Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.
• Authors of publication: Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 13
• Pages of publication: 7231 - 7238
• a: 17.808 ± 0.006 Å
• b: 7.964 ± 0.003 Å
• c: 21.315 ± 0.007 Å
• α: 90°
• β: 112.289 ± 0.003°
• γ: 90°
• Cell volume: 2797.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No