Information card for entry 7041347

Structure parameters

• Formula: C17 H22 B N O2
• Calculated formula: C17 H22 B N O2
• SMILES: C(C)[B]1(CC)(OC(=[O]1)c1ccccc1)[n]1ccc(cc1)C
• Title of publication: Structure investigations of group 13 organometallic carboxylates.
• Authors of publication: Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 669 - 677
• a: 13.295 ± 0.0003 Å
• b: 14.312 ± 0.0003 Å
• c: 17.253 ± 0.0003 Å
• α: 90°
• β: 104.228 ± 0.001°
• γ: 90°
• Cell volume: 3182.17 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No