Information card for entry 7111792

Structure parameters

• Formula: C22 H26 O4
• Calculated formula: C22 H26 O4
• SMILES: C(=O)(Oc1ccc(OC(=O)/C=C/C=C/CCC)cc1)/C=C/C=C/CCC
• Title of publication: Synthesis of polymeric ladders by topochemical polymerization
• Authors of publication: Xiaodong Hou; Zhihan Wang; Joseph Lee; Erin Wysocki; Casey Oian; Jennifer Schlak; Qianli R. Chu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1218
• a: 5.4869 ± 0.0003 Å
• b: 8.0395 ± 0.0004 Å
• c: 12.2631 ± 0.0008 Å
• α: 71.633 ± 0.004°
• β: 89.64 ± 0.003°
• γ: 74.81 ± 0.003°
• Cell volume: 493.73 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No