Information card for entry 7111791

Structure parameters

• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: C(=C\C)/C=C/C(=O)Oc1ccc(cc1)OC(=O)/C=C/C=C/C
• 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: 5.6003 ± 0.0003 Å
• b: 8.1769 ± 0.0004 Å
• c: 17.0907 ± 0.0009 Å
• α: 90°
• β: 94.409 ± 0.003°
• γ: 90°
• Cell volume: 780.32 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.059
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No