Information card for entry 7054927

Structure parameters

• Formula: C31 H31 N
• Calculated formula: C31 H31 N
• SMILES: N(=C\c1c2c3c(cc1)ccc1c3c(cc2)ccc1)/c1ccc(CCCCCCCC)cc1
• 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: 7.66 ± 0.0006 Å
• b: 8.1559 ± 0.0006 Å
• c: 20.1223 ± 0.0013 Å
• α: 91.773 ± 0.005°
• β: 94.378 ± 0.006°
• γ: 112.4 ± 0.007°
• Cell volume: 1156.42 ± 0.16 ų
• Cell temperature: 2175 K
• Ambient diffraction temperature: 175 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 all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No