Information card for entry 7123710

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• Title of publication: Electron transfer across a spiro link: extreme solvatofluorochromism of a compact spiro-bridged N,N-dimethylaniline-phthalide dyad
• Authors of publication: Karpiuk, Jerzy; Gawrys, Pawel; Karpiuk, Elena; Suwinska, Kinga
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8987 ± 0.0007 Å
• b: 6.2421 ± 0.0006 Å
• c: 14.8718 ± 0.0014 Å
• α: 90°
• β: 103.53 ± 0.005°
• γ: 90°
• Cell volume: 712.9 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No