Information card for entry 7057945

Structure parameters

• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• Title of publication: The Knoevenagel condensation using quinine as an organocatalyst under solvent-free conditions
• Authors of publication: Jain, Kavita; Chaudhuri, Saikat; Pal, Kuntal; Das, Kalpataru
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1299
• a: 7.4403 ± 0.0005 Å
• b: 7.5372 ± 0.0005 Å
• c: 10.8823 ± 0.0007 Å
• α: 100.819 ± 0.002°
• β: 96.705 ± 0.002°
• γ: 113.459 ± 0.001°
• Cell volume: 537.32 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No