Information card for entry 4515079

Structure parameters

• Formula: C49.5 H27 Cu F9 N3
• Calculated formula: C49.5 H27 Cu F9 N3
• Title of publication: Azulicorrole
• Authors of publication: Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik
• Journal of publication: ACS Omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 6737
• a: 17.593 ± 0.0012 Å
• b: 18.0587 ± 0.0012 Å
• c: 11.9975 ± 0.0008 Å
• α: 90°
• β: 96.358 ± 0.002°
• γ: 90°
• Cell volume: 3788.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No