Information card for entry 7054924

Structure parameters

• Formula: C29.166 H31.25 N1.08
• Calculated formula: C29.1667 H31 N1.08333
• 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: 46.312 ± 0.003 Å
• b: 46.312 ± 0.003 Å
• c: 5.6266 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10451.1 ± 1.3 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2244
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1478
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No