Information card for entry 1502539

Structure parameters

• Formula: C29 H36 N2 O7 S Si
• Calculated formula: C29 H36 N2 O7 S Si
• Title of publication: The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction.
• Authors of publication: Petit, Laurent; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5800 - 5803
• a: 25.6392 ± 0.0003 Å
• b: 14.1998 ± 0.0002 Å
• c: 34.5075 ± 0.0005 Å
• α: 90°
• β: 98.0857 ± 0.0007°
• γ: 90°
• Cell volume: 12438.3 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.1638
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No