Information card for entry 7214018

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: c1c(ccc2ccccc12)C(=O)[O-].c1(cc(ccc1)C)C[NH3+]
• Title of publication: Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions
• Authors of publication: Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1741
• a: 15.604 ± 0.004 Å
• b: 6.263 ± 0.0014 Å
• c: 15.601 ± 0.004 Å
• α: 90°
• β: 90.68 ± 0.003°
• γ: 90°
• Cell volume: 1524.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No