Information card for entry 4116754

Structure parameters

• Formula: C17 H24 I N3 O
• Calculated formula: C17 H22 I N3 O
• Title of publication: N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures
• Authors of publication: Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 6433 - 6442
• a: 12.055 ± 0.003 Å
• b: 14.776 ± 0.003 Å
• c: 10.466 ± 0.004 Å
• α: 90°
• β: 90.07 ± 0.03°
• γ: 90°
• Cell volume: 1864.3 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0751
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No