Information card for entry 4112260

Structure parameters

• Formula: C24 H32 O8
• Calculated formula: C24 H32 O8
• SMILES: C(C(=O)OC(C)C)(=C1C=CC(=C(C(=O)OC(C)C)C(=O)OC(C)C)C=C1)C(=O)OC(C)C
• 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: 15.76 ± 0.006 Å
• b: 8.4013 ± 0.0008 Å
• c: 19.395 ± 0.002 Å
• α: 90°
• β: 99.29 ± 0.02°
• γ: 90°
• Cell volume: 2534.3 ± 1 ų
• Cell temperature: 197.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.513
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No