Information card for entry 4130462

Structure parameters

• Formula: C26 H32 N2
• Calculated formula: C26 H32 N2
• SMILES: c1cccc2c1c(N1CCCCCC1)c1ccccc1c2N1CCCCCC1
• 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: 7.5541 ± 0.0013 Å
• b: 7.9377 ± 0.0015 Å
• c: 9.1231 ± 0.0015 Å
• α: 102.214 ± 0.013°
• β: 102.818 ± 0.012°
• γ: 96.828 ± 0.013°
• Cell volume: 513.38 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No