Information card for entry 4027222

Structure parameters

• Formula: C33 H35 B F2 N2 O4
• Calculated formula: C33 H35 B F2 N2 O4
• Title of publication: Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion
• Authors of publication: Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5036 - 5048
• a: 7.702 ± 0.002 Å
• b: 11.706 ± 0.003 Å
• c: 17.463 ± 0.005 Å
• α: 106.33 ± 0.008°
• β: 96.692 ± 0.005°
• γ: 92.331 ± 0.005°
• Cell volume: 1496.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No