Information card for entry 7054928

Structure parameters

• Formula: C27 H23 N
• Calculated formula: C27 H23 N
• SMILES: N(=C\c1c2c3c(ccc4c3c(ccc4)cc2)cc1)/c1ccc(cc1)CCCC
• Title of publication: Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission
• Authors of publication: Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6404
• a: 20.21 ± 0.004 Å
• b: 4.7596 ± 0.0011 Å
• c: 20.15 ± 0.003 Å
• α: 90°
• β: 90.938 ± 0.014°
• γ: 90°
• Cell volume: 1938 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1535
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections: 0.1505
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0365
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No