Information card for entry 2222462

Structure parameters

• Common name: 1,6-bis(2,5-dimethyl-pyrrol-1-yl)hexane
• Chemical name: 2,2',5,5'-Tetramethyl-1,1'-(hexane-1,6-diyl)di-1<i>H</i>-pyrrole
• Formula: C18 H28 N2
• Calculated formula: C18 H28 N2
• SMILES: Cc1ccc(n1CCCCCCn1c(C)ccc1C)C
• Title of publication: 2,2',5,5'-Tetramethyl-1,1'-(hexane-1,6-diyl)di-1<i>H</i>-pyrrole
• Authors of publication: Santos, Ana C.; Ramos Silva, Manuela; Monsanto, Paula V.; Matos Beja, Ana; Sobral, Abilio J. F. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1594
• a: 7.7608 ± 0.0003 Å
• b: 6.4767 ± 0.0003 Å
• c: 16.7738 ± 0.0007 Å
• α: 90°
• β: 94.309 ± 0.003°
• γ: 90°
• Cell volume: 840.74 ± 0.06 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: 0.097
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes