Information card for entry 1502022

Structure parameters

• Formula: C33 H44 N2 O6 S Si
• Calculated formula: C33 H44 N2 O6 S Si
• Title of publication: The imidato-alkenyllithium route for the synthesis of the isoquinocycline-pyrrolopyrrole substructure.
• Authors of publication: Breuning, M André; Harms, Klaus; Koert, Ulrich
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1402 - 1405
• a: 10.6719 ± 0.0007 Å
• b: 12.0517 ± 0.0008 Å
• c: 13.6594 ± 0.001 Å
• α: 79.724 ± 0.006°
• β: 89.131 ± 0.006°
• γ: 71.349 ± 0.005°
• Cell volume: 1636.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No