Information card for entry 2201280

Structure parameters

• Chemical name: (E)-5-Methyl-2-(2-methylstyryl)pyrrole
• Formula: C14 H15 N
• Calculated formula: C14 H15 N
• SMILES: [nH]1c(ccc1C)/C=C/c1ccccc1C
• Title of publication: (<i>E</i>)-5-Methyl-2-(2-methylstyryl)pyrrole
• Authors of publication: Višnjevac, Aleksandar; Basarić, Nikola; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o909 - o910
• a: 12.056 ± 0.002 Å
• b: 7.545 ± 0.001 Å
• c: 12.62 ± 0.02 Å
• α: 90°
• β: 99.04 ± 0.04°
• γ: 90°
• Cell volume: 1133.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.2836
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes