Information card for entry 7154489

Structure parameters

• Formula: C19 H20 O2
• Calculated formula: C19 H20 O2
• SMILES: [C@@H]1([C@H]2[C@]3(CCO1)CC[C@H](C2)O3)c1cccc2ccccc12.[C@H]1([C@@H]2[C@@]3(CCO1)CC[C@@H](C2)O3)c1cccc2ccccc12
• Title of publication: An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.
• Authors of publication: Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6737 - 6741
• a: 8.6637 ± 0.0007 Å
• b: 15.5478 ± 0.0012 Å
• c: 11.0472 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No