Information card for entry 4032600

Structure parameters

• Formula: C20 H20 N2
• Calculated formula: C20 H20 N2
• SMILES: N(c1c(N(C)C)c2cccc3ccc4cccc1c4c23)(C)C
• Title of publication: The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines.
• Authors of publication: Sasaki, Shunsuke; Suzuki, Satoshi; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 6865 - 6873
• a: 9.618 ± 0.0008 Å
• b: 9.7192 ± 0.0008 Å
• c: 16.7262 ± 0.0013 Å
• α: 90°
• β: 98.072 ± 0.007°
• γ: 90°
• Cell volume: 1548.1 ± 0.2 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: 0.1056
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.3098
• Weighted residual factors for all reflections included in the refinement: 0.3294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No