Information card for entry 4130460

Structure parameters

• Formula: C26 H36 N2
• Calculated formula: C26 H36 N2
• SMILES: c1c2c(N(CCC)CCC)c3ccccc3c(c2ccc1)N(CCC)CCC
• 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: 10.6665 ± 0.0003 Å
• b: 8.8035 ± 0.0003 Å
• c: 11.6426 ± 0.0004 Å
• α: 90°
• β: 98.268 ± 0.007°
• γ: 90°
• Cell volume: 1081.91 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1557
• 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