Information card for entry 1507267

Structure parameters

• Formula: C33 H42 N2 O3 Si
• Calculated formula: C33 H42 N2 O3 Si
• SMILES: c1(c(c2c(cccc2n1C(=O)OC(C)(C)C)OC)CCN(Cc1ccccc1)Cc1ccccc1)[Si](C)(C)C
• Title of publication: Preparation of the 4-hydroxytryptamine scaffold via palladium-catalyzed cyclization: a practical and versatile synthesis of psilocin.
• Authors of publication: Gathergood, Nicholas; Scammells, Peter J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 921 - 923
• a: 10.8305 ± 0.0001 Å
• b: 11.1512 ± 0.0002 Å
• c: 13.633 ± 0.0002 Å
• α: 91.503 ± 0.001°
• β: 108.014 ± 0.001°
• γ: 97.261 ± 0.001°
• Cell volume: 1549.51 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No