Information card for entry 4113802

Structure parameters

• Common name: endo-phenyl-pyrrole
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O=C1[C@H]2[C@H]3c4c[nH]cc4[C@H](C3)[C@H]2C(=O)N1c1ccccc1
• Title of publication: Defining Space around Conducting Polymers: Reversible Protonic Doping of a Canopied Polypyrrole
• Authors of publication: Dongwhan Lee; Timothy M. Swager
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6870 - 6871
• a: 8.7931 ± 0.0018 Å
• b: 7.4466 ± 0.0015 Å
• c: 10.799 ± 0.002 Å
• α: 90°
• β: 104.106 ± 0.003°
• γ: 90°
• Cell volume: 685.8 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No