Information card for entry 1503854

Structure parameters

• Formula: C23 H28 O4
• Calculated formula: C23 H28 O4
• SMILES: O(c1cc2CC3CC(Cc2cc1OC)Cc1c(C3)cc(OC)c(OC)c1)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: 10.8438 ± 0.0002 Å
• b: 6.8928 ± 0.0001 Å
• c: 26.8595 ± 0.0005 Å
• α: 90°
• β: 97.201 ± 0.001°
• γ: 90°
• Cell volume: 1991.76 ± 0.06 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: 0.0333
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No