Information card for entry 1556125

Structure parameters

• Common name: frojc01
• Formula: C16 H19 N O5
• Calculated formula: C16 H19 N O5
• Title of publication: A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.
• Authors of publication: Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4082 - 4085
• a: 6.9621 ± 0.0012 Å
• b: 36.328 ± 0.006 Å
• c: 6.9667 ± 0.0012 Å
• α: 90°
• β: 117.642 ± 0.002°
• γ: 90°
• Cell volume: 1560.9 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No