Information card for entry 7106409

Structure parameters

• Formula: C35 H50 N6 O
• Calculated formula: C35 H47.97 N6 O
• Title of publication: Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers
• Authors of publication: John S. Hart; Fraser J. White; Jason B. Love
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5711
• a: 14.6784 ± 0.0002 Å
• b: 14.6784 ± 0.0002 Å
• c: 12.8656 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2400.59 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No