Information card for entry 4116918

Structure parameters

• Chemical name: 4-Methoxyphenyldiazonium tetraphenylborate / alpha-methylstyrene molecular complex 2:1
• Formula: C35.5 H32 B N2 O
• Calculated formula: C35.5 H32 B N2 O
• Title of publication: Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs
• Authors of publication: S. V. Lindeman; D. Kosynkin; J. K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 13268 - 13269
• a: 11.3186 ± 0.0001 Å
• b: 16.4446 ± 0.0002 Å
• c: 15.3768 ± 0.0001 Å
• α: 90°
• β: 96.185 ± 0.001°
• γ: 90°
• Cell volume: 2845.42 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections: 0.1486
• Weighted residual factors for significantly intense reflections: 0.1349
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No