Information card for entry 7057789

Structure parameters

• Chemical name: (R,E)-2-(((1-phenylethyl)imino)methyl)phenol
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• Title of publication: Aggregation-induced emission enhancement of chiral boranils
• Authors of publication: Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 18166
• a: 18.196 ± 0.019 Å
• b: 5.857 ± 0.006 Å
• c: 14.535 ± 0.016 Å
• α: 90°
• β: 128.41 ± 0.02°
• γ: 90°
• Cell volume: 1214 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No