Information card for entry 7102646

Structure parameters

• Formula: C56 H32 B4 F12 N4 O8
• Calculated formula: C56 H28 B4 F12 N4 O8
• Title of publication: A new method for the synthesis of boronate macrocycles
• Authors of publication: N.Christinat; R.Scopelliti; K.Severin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1158 - 1159
• a: 13.538 ± 0.004 Å
• b: 13.595 ± 0.01 Å
• c: 13.813 ± 0.012 Å
• α: 80.64 ± 0.07°
• β: 85.41 ± 0.04°
• γ: 80.58 ± 0.04°
• Cell volume: 2471 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.2037
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No