Information card for entry 2201051

Structure parameters

• Formula: C34 H42 B2 N2 O4
• Calculated formula: C34 H42 B2 N2 O4
• SMILES: [B]1(c2ccccc2)([O]=N(CO1)(CCN1(CO[B](c2ccccc2)([O]=1)c1ccccc1)C(C)C)C(C)C)c1ccccc1
• Title of publication: A diphenylboron chelate of an ethylenebishydroxylamine formaldehyde adduct
• Authors of publication: Kliegel, Wolfgang; Amt, Hennig; Patrick, Brian O.; Rettig, Steven J.; James Trotter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o473 - o475
• a: 10.5826 ± 0.0009 Å
• b: 11.6428 ± 0.0006 Å
• c: 13.3394 ± 0.0006 Å
• α: 90°
• β: 98.164 ± 0.005°
• γ: 90°
• Cell volume: 1626.91 ± 0.18 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.069
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No