Information card for entry 7054926

Structure parameters

• Formula: C29 H29 N O5
• Calculated formula: C29 H29 N O5
• 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: 19.8394 ± 0.0007 Å
• b: 8.7672 ± 0.0003 Å
• c: 13.8699 ± 0.0006 Å
• α: 90°
• β: 101.793 ± 0.003°
• γ: 90°
• Cell volume: 2361.55 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No