Information card for entry 1503855

Structure parameters

• Formula: C25 H29 N O5
• Calculated formula: C25 H29 N O5
• SMILES: O(c1cc2c(cc1OC)CC1Cc3c(cc(OC)c(OC)c3)CC(C2)C1=O)C.N#CC
• 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: 12.3843 ± 0.0009 Å
• b: 25.9281 ± 0.0019 Å
• c: 6.9484 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2231.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No