Information card for entry 4023754

Structure parameters

• Formula: C150 H209 Cl N8 O21 S12
• Calculated formula: C150 H206.5 Cl N8 O21 S12
• Title of publication: The Proton Complex of a Diaza-macropentacycle: Structure, Slow Formation, and Chirality Induction by Ion Pairing with the Optically Active 1,1'-Binaphthyl-2,2'-diyl Phosphate Anion
• Authors of publication: Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa; Klaus Bernauer; Ulrich Scholten; Roland Graff
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7871 - 7881
• a: 17.3487 ± 0.0003 Å
• b: 18.2631 ± 0.0004 Å
• c: 25.9754 ± 0.0006 Å
• α: 76.485 ± 0.001°
• β: 81.281 ± 0.001°
• γ: 77.478 ± 0.001°
• Cell volume: 7767.5 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.1393
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No