Information card for entry 7054923

Structure parameters

• Formula: C25 H27 N O6
• Calculated formula: C25 H27 N O6
• 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: 5.0416 ± 0.00018 Å
• b: 13.6467 ± 0.0005 Å
• c: 31.0182 ± 0.0011 Å
• α: 90°
• β: 94.55 ± 0.003°
• γ: 90°
• Cell volume: 2127.36 ± 0.13 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 4
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No