Information card for entry 7025783

Structure parameters

• Formula: C18 H23 Br N Sb
• Calculated formula: C18 H23 Br N Sb
• SMILES: Br[Sb]1(c2c(cccc2)C[N]1(C)C)c1c(cc(cc1C)C)C
• Title of publication: New chiral organoantimony(III) compounds containing intramolecular N ‒> Sb interactions‒solution behaviour and solid state structures.
• Authors of publication: Copolovici, Dana; Bojan, Vilma R.; Raţ, Ciprian I; Silvestru, Anca; Breunig, Hans J.; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6410 - 6418
• a: 8.8931 ± 0.0005 Å
• b: 9.5876 ± 0.0006 Å
• c: 21.2914 ± 0.0013 Å
• α: 90°
• β: 99.265 ± 0.001°
• γ: 90°
• Cell volume: 1791.7 ± 0.19 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No