Information card for entry 7224121

Structure parameters

• Common name: 4-Pyrrolidine-1-yl-pyridine
• Formula: C9 H12 N2
• Calculated formula: C9 H12 N2
• SMILES: n1ccc(N2CCCC2)cc1
• Title of publication: Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object
• Authors of publication: Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 1883
• a: 10.4951 ± 0.0007 Å
• b: 8.104 ± 0.0005 Å
• c: 18.3689 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.32 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No