Information card for entry 1503856

Structure parameters

• Formula: C28 H36 O6
• Calculated formula: C28 H36 O6
• SMILES: O(c1cc2c(cc1OC)CC1Cc3c(cc(OC)c(OC)c3)CC(C2)C21OCC(CO2)(C)C)C
• Title of publication: Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.
• Authors of publication: Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1939 - 1942
• a: 9.8164 ± 0.0016 Å
• b: 26.656 ± 0.004 Å
• c: 18.42 ± 0.003 Å
• α: 90°
• β: 90 ± 0.002°
• γ: 90°
• Cell volume: 4819.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No