Information card for entry 4130458

Structure parameters

• Formula: C30 H44 N2
• Calculated formula: C30 H44 N2
• SMILES: c1(N(CC(C)C)CC(C)C)c2ccccc2c(c2ccccc12)N(CC(C)C)CC(C)C
• Title of publication: Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.
• Authors of publication: Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 26
• Pages of publication: 8194 - 8206
• a: 8.0747 ± 0.0006 Å
• b: 16.5382 ± 0.0011 Å
• c: 10.1107 ± 0.0007 Å
• α: 90°
• β: 102.931 ± 0.007°
• γ: 90°
• Cell volume: 1315.95 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No