Information card for entry 7054922

Structure parameters

• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• 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: 9.6623 ± 0.0003 Å
• b: 13.1399 ± 0.0004 Å
• c: 13.4402 ± 0.0004 Å
• α: 96.42 ± 0.003°
• β: 103.728 ± 0.003°
• γ: 92.257 ± 0.003°
• Cell volume: 1643.4 ± 0.09 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0757
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No