Information card for entry 4028626

Structure parameters

• Common name: frojc03
• Formula: C26 H29 N O5
• Calculated formula: C26 H29 N O5
• Title of publication: Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A
• Authors of publication: Jennifer Ciesielski; Vincent Gandon; Alison J. Frontier
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9541 - 9552
• a: 6.079 ± 0.002 Å
• b: 27.279 ± 0.01 Å
• c: 41.157 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6825 ± 4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.1624
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No