Information card for entry 4026710

Structure parameters

• Chemical name: Tetramethyl 2,2'-((9S,10R)-1,2,5,6-tetramethoxy-9,10-dihydroanthracene- 9,10-diyl)bis(methylene)dimalonate
• Formula: C30 H36 O12
• Calculated formula: C30 H36 O12
• SMILES: [C@H]1(c2ccc(c(c2[C@H](c2ccc(c(c12)OC)OC)CC(C(=O)OC)C(=O)OC)OC)OC)CC(C(=O)OC)C(=O)OC
• Title of publication: (3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings
• Authors of publication: Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8852 - 8868
• a: 9.3152 ± 0.0019 Å
• b: 7.6419 ± 0.0017 Å
• c: 20.709 ± 0.004 Å
• α: 90°
• β: 102.37 ± 0.02°
• γ: 90°
• Cell volume: 1440 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No