Information card for entry 4103352

Structure parameters

• Formula: C32 H33 N O7 S2
• Calculated formula: C32 H33 N O7 S2
• Title of publication: Memory of Chirality in Cascade Rearrangements of Enediynes
• Authors of publication: Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14742 - 14744
• a: 10.1812 ± 0.0002 Å
• b: 25.7846 ± 0.0006 Å
• c: 11.8057 ± 0.0003 Å
• α: 90°
• β: 101.867 ± 0.001°
• γ: 90°
• Cell volume: 3032.97 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No