Information card for entry 7240098

Structure parameters

• Formula: C17 H21 N3 O
• Calculated formula: C17 H21 N3 O
• Title of publication: Photophysical transformations induced by chemical substitution to salicylaldimines.
• Authors of publication: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 6698 - 6705
• a: 8.949 ± 0.005 Å
• b: 21.987 ± 0.006 Å
• c: 8.156 ± 0.004 Å
• α: 90°
• β: 103.14 ± 0.04°
• γ: 90°
• Cell volume: 1562.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0743
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No