Information card for entry 4116747

Structure parameters

• Formula: C13 H13 N3
• Calculated formula: C13 H13 N3
• 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: 12.653 ± 0.005 Å
• b: 20.54 ± 0.02 Å
• c: 8.944 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2324 ± 3 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 3
• 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: 0.0848
• Weighted residual factors for significantly intense reflections: 0.0908
• Goodness-of-fit parameter for significantly intense reflections: 1.777
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No