Information card for entry 7003494

Structure parameters

• Common name: 3,3-(butylenedioxy)-2,2-bipyridine methanol solvate
• Chemical name: 3,3-(butylenedioxy)-2,2-bipyridine methanol solvate
• Formula: C15 H18 N2 O3
• Calculated formula: C15 H14 N2 O3
• Title of publication: New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction
• Authors of publication: Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2171 - 2182
• a: 10.78 ± 0.003 Å
• b: 14.567 ± 0.004 Å
• c: 8.764 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1376.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No