Information card for entry 2225027

Structure parameters

• Common name: <i>meso</i>-Dimethylbis(pyrrol-2-yl)methane
• Chemical name: 2,2'-(propane-2,2-diyl)bis(1<i>H</i>-pyrrole)
• Formula: C11 H14 N2
• Calculated formula: C11 H14 N2
• SMILES: [nH]1cccc1C(c1[nH]ccc1)(C)C
• Title of publication: 2,2'-(Propane-2,2-diyl)bis(1<i>H</i>-pyrrole)
• Authors of publication: Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o392
• a: 8.4554 ± 0.0008 Å
• b: 9.2001 ± 0.0008 Å
• c: 13.2274 ± 0.0011 Å
• α: 99.802 ± 0.007°
• β: 95.321 ± 0.007°
• γ: 97.328 ± 0.007°
• Cell volume: 998.74 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes