Information card for entry 1515332

Structure parameters

• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: N1([C@H]([C@@H]2C=C[C@H]1C2)C(=O)OC)[C@@H](c1ccccc1)C
• Title of publication: Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure
• Authors of publication: Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2760
• a: 11.3513 ± 0.0019 Å
• b: 5.7944 ± 0.001 Å
• c: 11.73 ± 0.002 Å
• α: 90°
• β: 117.303 ± 0.006°
• γ: 90°
• Cell volume: 685.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No