Information card for entry 1503946

Structure parameters

• Formula: C24 H24 O5
• Calculated formula: C24 H24 O5
• SMILES: O1C[C@@H]2[C@H](C1)[C@@H](C(=C([C@@H]2C(=O)OC)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: 16.5901 ± 0.0013 Å
• b: 6.2077 ± 0.0005 Å
• c: 21.518 ± 0.002 Å
• α: 90°
• β: 112.619 ± 0.001°
• γ: 90°
• Cell volume: 2045.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No