Information card for entry 7203871

Structure parameters

• Formula: C16 H24 N2
• Calculated formula: C16 H24 N2
• SMILES: n1(n2c(c(c(c2C)C)C)C)c(c(c(c1C)C)C)C
• Title of publication: Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole
• Authors of publication: Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 353
• a: 8.4201 ± 0.0017 Å
• b: 16.681 ± 0.003 Å
• c: 21.656 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3041.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No