Information card for entry 4075475

Structure parameters

• Formula: C20 H28 Be O
• Calculated formula: C20 H28 Be O
• SMILES: [Be]([O](CCCC)CCCC)(c1ccccc1)c1ccccc1
• Title of publication: The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)
• Authors of publication: Gottfriedsen, Jochen; Blaurock, Steffen
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3784
• a: 9.4993 ± 0.0009 Å
• b: 10.5282 ± 0.001 Å
• c: 18.7174 ± 0.0018 Å
• α: 90°
• β: 103.118 ± 0.002°
• γ: 90°
• Cell volume: 1823.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0905
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No