Information card for entry 1508630

Structure parameters

• Formula: C43 H50 Cl2 N4 O10
• Calculated formula: C43 H50 Cl2 N4 O10
• Title of publication: Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.
• Authors of publication: Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4634 - 4637
• a: 28.956 ± 0.003 Å
• b: 12.8042 ± 0.0011 Å
• c: 11.6536 ± 0.001 Å
• α: 90°
• β: 100.281 ± 0.001°
• γ: 90°
• Cell volume: 4251.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No