Information card for entry 1553242

Structure parameters

• Common name: Cinnamaldimine
• Chemical name: S1
• Formula: C18 H27 Cl N2 O
• Calculated formula: C18 H27 Cl N2 O
• SMILES: c1(ccc(cc1)/C=C/C=[NH+]/CC1(CCCCC1)O)N(C)C.[Cl-]
• Title of publication: A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition.
• Authors of publication: Jiménez-Sánchez, Arturo; Santillan, Rosa
• Journal of publication: The Analyst
• Year of publication: 2016
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 4108 - 4120
• a: 14.388 Å
• b: 6.189 Å
• c: 20.392 Å
• α: 90°
• β: 98.16°
• γ: 90°
• Cell volume: 1797.47 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No