Information card for entry 4116917

Structure parameters

• Chemical name: Phenyldiazonium tetraphenylborate acetone hemisolvate
• Formula: C31.5 H28 B N2 O0.5
• Calculated formula: C31.5 H28 B N2 O0.5
• 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: 9.8947 ± 0.0002 Å
• b: 15.9444 ± 0.0003 Å
• c: 17.2787 ± 0.0002 Å
• α: 78.666 ± 0.001°
• β: 84.8 ± 0.001°
• γ: 74.33 ± 0.001°
• Cell volume: 2571.44 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.1589
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No