Information card for entry 1506303

Structure parameters

• Formula: C19 H16 O5
• Calculated formula: C19 H16 O5
• SMILES: O1C(=O)c2cccc(c2c2ccc(OC)c3CCCC1c23)C(=O)O
• Title of publication: 180 degree unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype.
• Authors of publication: Dahl, Bart J.; Branchaud, Bruce P.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 5841 - 5844
• a: 7.764 ± 0.002 Å
• b: 21.989 ± 0.006 Å
• c: 8.721 ± 0.002 Å
• α: 90°
• β: 94.738 ± 0.004°
• γ: 90°
• Cell volume: 1483.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No