Information card for entry 4027633

Structure parameters

• Formula: C36.5 H41.5 Fe O7 Si
• Calculated formula: C36.5 H41.5 Fe O7 Si
• Title of publication: Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids
• Authors of publication: G. Richard Stephenson; Caroline Roe; Christopher E. Anson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9684 - 9692
• a: 12.145 ± 0.003 Å
• b: 16.906 ± 0.004 Å
• c: 18.104 ± 0.004 Å
• α: 68.923 ± 0.004°
• β: 84.618 ± 0.004°
• γ: 78.411 ± 0.004°
• Cell volume: 3396.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No