Information card for entry 7019699

Structure parameters

• Chemical name: 1,1,3,3-tetra(ethoxylcarbonyl)allene
• Formula: C15 H20 O8
• Calculated formula: C15 H20 O8
• SMILES: C(=C(C(=O)OCC)C(=O)OCC)=C(C(=O)OCC)C(=O)OCC
• Title of publication: Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.
• Authors of publication: Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9073 - 9082
• a: 4.7229 ± 0.0002 Å
• b: 9.6401 ± 0.0005 Å
• c: 19.1004 ± 0.0009 Å
• α: 100.459 ± 0.002°
• β: 95.176 ± 0.002°
• γ: 102.972 ± 0.002°
• Cell volume: 825.53 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No