Information card for entry 7108712

Structure parameters

• Formula: C30 H46 B2 O6 Si2
• Calculated formula: C30 H46 B2 O6 Si2
• Title of publication: Synthesis of borasiloxane-based macrocycles by multicomponent condensation reactions in solution or in a ball mill
• Authors of publication: Mirela Pascu; Albert Ruggi; Rosario Scopelliti; Kay Severin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 45
• a: 8.4713 ± 0.0009 Å
• b: 10.5851 ± 0.0007 Å
• c: 10.672 ± 0.0011 Å
• α: 109.911 ± 0.007°
• β: 94.902 ± 0.008°
• γ: 109.903 ± 0.007°
• Cell volume: 823.76 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No