Information card for entry 4112262

Structure parameters

• Formula: C20 H20 Cl4 O8
• Calculated formula: C20 H20 Cl4 O8
• SMILES: C(COC(=O)C(C(=O)OCCCl)=C1C=CC(=C(C(=O)OCCCl)C(=O)OCCCl)C=C1)Cl
• Title of publication: Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes
• Authors of publication: Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2035 - 2041
• a: 7.646 ± 0.0005 Å
• b: 15.981 ± 0.002 Å
• c: 10.006 ± 0.001 Å
• α: 90°
• β: 105.371 ± 0.004°
• γ: 90°
• Cell volume: 1178.9 ± 0.2 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No