Information card for entry 2204278

Structure parameters

• Chemical name: (Dibenzo-18-crown-6)(2-phenylamidopyridine)potassium(I)
• Formula: C31 H33 K N2 O6
• Calculated formula: C31 H33 K N2 O6
• SMILES: [K]123456([n]7ccccc7N1c1ccccc1)[O]1CC[O]2c2ccccc2[O]3CC[O]4CC[O]5c2ccccc2[O]6CC1
• Title of publication: (Dibenzo-18-crown-6)(2-phenylamidopyridine)potassium(I)
• Authors of publication: Clegg, William; Liddle, Stephen T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1495 - m1497
• a: 26.95 ± 0.002 Å
• b: 10.312 ± 0.0009 Å
• c: 22.866 ± 0.0019 Å
• α: 90°
• β: 117.607 ± 0.002°
• γ: 90°
• Cell volume: 5631.2 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes