Information card for entry 7203137

Structure parameters

• Common name: N,N'-Bis(1H-pyrrol-2-ylmethylene)cyclohexane-1,2-diamine
• Formula: C16 H20 N4
• Calculated formula: C16 H20 N4
• SMILES: c1ccc([nH]1)/C=N/[C@H]1[C@@H](CCCC1)/N=C/c1ccc[nH]1.c1ccc([nH]1)/C=N/[C@@H]1[C@H](CCCC1)/N=C/c1ccc[nH]1
• 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: 18.5478 ± 0.0004 Å
• b: 8.9189 ± 0.0002 Å
• c: 9.2148 ± 0.0002 Å
• α: 90°
• β: 101.388 ± 0.001°
• γ: 90°
• Cell volume: 1494.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No