Information card for entry 4123518

Structure parameters

• Formula: C58 H64 Li N3 O
• Calculated formula: C58 H64 Li N3 O
• Title of publication: Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?
• Authors of publication: Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150316134803000
• a: 11.4666 ± 0.0003 Å
• b: 14.2657 ± 0.0004 Å
• c: 29.3989 ± 0.0008 Å
• α: 90°
• β: 93.347 ± 0.002°
• γ: 90°
• Cell volume: 4800.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No