Information card for entry 1503945

Structure parameters

• Formula: C25 H22 O6
• Calculated formula: C25 H22 O6
• SMILES: O1C[C@@H]2[C@H](C1)[C@@]1(C(=C([C@@]2(C(=O)OC)C1=O)c1ccccc1)c1ccccc1)C(=O)OC
• Title of publication: Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).
• Authors of publication: Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2527 - 2530
• a: 38.18 ± 0.003 Å
• b: 8.344 ± 0.0006 Å
• c: 14.4486 ± 0.0009 Å
• α: 90°
• β: 108.287 ± 0.001°
• γ: 90°
• Cell volume: 4370.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No