Information card for entry 1529864

Structure parameters

• Formula: C32 H30 O2
• Calculated formula: C32 H30 O2
• SMILES: O1[C@H](c2ccccc2)[C@@H]2[C@@H](c3c1cccc3)C[C@@H](O[C@H]2c1ccccc1)CCc1ccccc1.O1[C@@H](c2ccccc2)[C@H]2[C@H](c3c1cccc3)C[C@H](O[C@@H]2c1ccccc1)CCc1ccccc1
• Title of publication: Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.
• Authors of publication: Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3884 - 3887
• a: 7.0588 ± 0.0002 Å
• b: 11.869 ± 0.0003 Å
• c: 15.6316 ± 0.0004 Å
• α: 105.145 ± 0.002°
• β: 101.933 ± 0.002°
• γ: 100.657 ± 0.002°
• Cell volume: 1196.58 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No