Information card for entry 4116757

Structure parameters

• Formula: C24 H30 I2 N6
• Calculated formula: C24 H30 I2 N6
• SMILES: C(=[NH2+])(N(C)c1ccc(cc1)N(C(=[NH2+])N(c1ccccc1)C)C)N(c1ccccc1)C.[I-].[I-]
• 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: 10.929 ± 0.002 Å
• b: 11.173 ± 0.002 Å
• c: 11.895 ± 0.002 Å
• α: 90°
• β: 113.56 ± 0.01°
• γ: 90°
• Cell volume: 1331.4 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 2.91
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No