Information card for entry 7034074

Structure parameters

• Formula: C20 H28 B Cl N2 O
• Calculated formula: C20 H28 B Cl N2 O
• Title of publication: Intramolecular N-coordination in ketiminoboranes.
• Authors of publication: Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5284 - 5287
• a: 9.215 ± 0.0002 Å
• b: 13.4773 ± 0.0003 Å
• c: 17.1221 ± 0.0004 Å
• α: 90°
• β: 97.697 ± 0.002°
• γ: 90°
• Cell volume: 2107.29 ± 0.08 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.1606
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No