Information card for entry 2223964

Structure parameters

• Chemical name: 1,5-Bis(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)naphthalene
• Formula: C22 H22 N2
• Calculated formula: C22 H22 N2
• SMILES: Cc1ccc(n1c1cccc2c1cccc2n1c(C)ccc1C)C
• Title of publication: 1,5-Bis(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)naphthalene
• Authors of publication: Santos, A. C.; Ramos Silva, M.; Monsanto, P. V.; Matos Beja, A.; Sobral, A. J. F. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2618
• a: 8.7562 ± 0.0003 Å
• b: 7.2806 ± 0.0002 Å
• c: 14.138 ± 0.0005 Å
• α: 90°
• β: 101.472 ± 0.0016°
• γ: 90°
• Cell volume: 883.3 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes