Information card for entry 7150152

Structure parameters

• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: C1CC[C@H]2[C@@H](C[C@@H]([C@H]3CCCC3=C12)C(=O)OC)C(=O)OC
• Title of publication: A synthesis of (+/-)-sparteine.
• Authors of publication: Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1557 - 1567
• a: 9.6393 ± 0.0002 Å
• b: 9.6637 ± 0.0002 Å
• c: 17.7208 ± 0.0004 Å
• α: 78.728 ± 0.001°
• β: 79.019 ± 0.001°
• γ: 76.781 ± 0.001°
• Cell volume: 1557.5 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No