Information card for entry 7023323

Structure parameters

• Formula: C15 H14 O7
• Calculated formula: C15 H14 O7
• SMILES: O=C1OC(=O)[C@@H]2[C@@H]3[C@H]4C(=C([C@H]4[C@H]([C@H]12)C3)C(=O)OC)C(=O)OC
• Title of publication: A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.
• Authors of publication: Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11976 - 11980
• a: 9.1386 ± 0.0007 Å
• b: 6.5567 ± 0.0005 Å
• c: 11.6157 ± 0.0008 Å
• α: 90°
• β: 94.023 ± 0.006°
• γ: 90°
• Cell volume: 694.29 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No