Information card for entry 1502161

Structure parameters

• Formula: C20 H22 O2
• Calculated formula: C20 H22 O2
• SMILES: O[C@@H]1C[C@@]2(c3ccc(OC)cc3C[C@@H]2CC1)c1ccccc1.O[C@H]1C[C@]2(c3ccc(OC)cc3C[C@H]2CC1)c1ccccc1
• Title of publication: Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.
• Authors of publication: Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2614 - 2617
• a: 30.462 ± 0.002 Å
• b: 13.2317 ± 0.0008 Å
• c: 7.6817 ± 0.0005 Å
• α: 90°
• β: 95.312 ± 0.004°
• γ: 90°
• Cell volume: 3082.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No