Information card for entry 7115624

Structure parameters

• Formula: C22 H35 B3 N4 S
• Calculated formula: C22 H35 B3 N4 S
• Title of publication: Unexpected cluster formation upon hydroboration of a neutral diborene with 9-BBN
• Authors of publication: Holger Braunschweig; Christian Horl
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10983
• a: 10.765 ± 0.01 Å
• b: 14.567 ± 0.013 Å
• c: 14.658 ± 0.014 Å
• α: 90°
• β: 97.11 ± 0.02°
• γ: 90°
• Cell volume: 2281 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No