Information card for entry 4515193

Structure parameters

• Formula: C73 H52 B4 N8 O8
• Calculated formula: C73 H52 B4 N8 O8
• Title of publication: Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity
• Authors of publication: Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 3
• a: 12.1125 ± 0.0008 Å
• b: 15.6299 ± 0.001 Å
• c: 23.3077 ± 0.0012 Å
• α: 87.084 ± 0.005°
• β: 75.549 ± 0.005°
• γ: 72.54 ± 0.006°
• Cell volume: 4074.7 ± 0.5 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.4025
• Weighted residual factors for all reflections included in the refinement: 0.4293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No