Information card for entry 7154972

Structure parameters

• Formula: C23 H22 O2
• Calculated formula: C23 H22 O2
• SMILES: c12c(cccc1)CC[C@@]1(CCO[C@H](C1)c1cccc3ccccc13)O2.c12c(cccc1)CC[C@]1(CCO[C@@H](C1)c1cccc3ccccc13)O2
• Title of publication: A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives.
• Authors of publication: Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3234 - 3237
• a: 28.1542 ± 0.0016 Å
• b: 8.5012 ± 0.0005 Å
• c: 17.4613 ± 0.001 Å
• α: 90°
• β: 122.609 ± 0.001°
• γ: 90°
• Cell volume: 3520.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1348
• 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