Information card for entry 7702022

Structure parameters

• Formula: C30 H6 B2 F20 N6 O4
• Calculated formula: C30 H6 B2 F20 N6 O4
• Title of publication: Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates.
• Authors of publication: Melen, Rebecca L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5045 - 5048
• a: 12.5226 ± 0.0005 Å
• b: 13.5536 ± 0.0006 Å
• c: 19.7868 ± 0.0008 Å
• α: 90°
• β: 90.769 ± 0.002°
• γ: 90°
• Cell volume: 3358 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.7 K
• Number of distinct elements: 6
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No