Information card for entry 7053867

Structure parameters

• Common name: Compound X
• Formula: C18 H20 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: c1(ccc(cc1)/C=C/C=N/[C@H](CO)c1ccccc1)N(C)C
• Title of publication: Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound
• Authors of publication: Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 730
• a: 10.13 Å
• b: 6.355 Å
• c: 13.522 Å
• α: 90°
• β: 105.71°
• γ: 90°
• Cell volume: 837.977 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No