Information card for entry 4031744

Structure parameters

• Formula: C24 H28 O2
• Calculated formula: C24 H28 O2
• SMILES: [C@H]1([C@H]2CCCC[C@]32[C@H](CCO3)[C@H](c2ccccc2)O1)c1ccc(cc1)C.[C@@H]1([C@@H]2CCCC[C@@]32[C@@H](CCO3)[C@@H](c2ccccc2)O1)c1ccc(cc1)C
• Title of publication: Domino Strategy for the Stereoselective Construction of Angularly Fused Tricyclic Ethers.
• Authors of publication: Subba Reddy, B. V.; Medaboina, Durgaprasad; Gopal Reddy, S.; Hanuman Reddy, V.; Singarapu, Kiran Kumar; Sridhar, Balasubramanian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12580 - 12587
• a: 18.4384 ± 0.0016 Å
• b: 8.3568 ± 0.0007 Å
• c: 13.182 ± 0.0011 Å
• α: 90°
• β: 108.98 ± 0.001°
• γ: 90°
• Cell volume: 1920.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No