Information card for entry 7203136

Structure parameters

• Common name: N,N'-Bis(furan-2-ylmethylene)cyclohexane-1,2-diamine
• Formula: C16 H18 N2 O2
• Calculated formula: C16 H18 N2 O2
• SMILES: o1cccc1/C=N/[C@H]1CCCC[C@@H]1/N=C/c1ccco1.o1cccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccco1
• Title of publication: Benign approaches for the synthesis of bis-imine Schiff bases
• Authors of publication: van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 50
• a: 9.4647 ± 0.0002 Å
• b: 9.9534 ± 0.0002 Å
• c: 15.7079 ± 0.0004 Å
• α: 90°
• β: 98.509 ± 0.001°
• γ: 90°
• Cell volume: 1463.49 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No