Information card for entry 2208168

Structure parameters

• Common name: bis-pyridino-18-crown-6
• Chemical name: 3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene
• Formula: C18 H22 N2 O4
• Calculated formula: C18 H22 N2 O4
• SMILES: C1COCc2cccc(n2)COCCOCc2nc(CO1)ccc2
• Title of publication: 3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene (bis-pyridino-18-crown-6)
• Authors of publication: Cheng-Juan Li; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o416 - o417
• a: 14.797 ± 0.004 Å
• b: 7.2616 ± 0.0019 Å
• c: 15.191 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes