Information card for entry 1502897

Structure parameters

• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: n1cccc2[C@@]3(C(=O)C[C@H](C[C@@H]3Cc12)C)C(=O)OC.n1cccc2[C@]3(C(=O)C[C@@H](C[C@H]3Cc12)C)C(=O)OC
• Title of publication: Concise total synthesis of (+/-)-lycopladine A.
• Authors of publication: DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1576 - 1579
• a: 9.572 ± 0.0006 Å
• b: 13.652 ± 0.0008 Å
• c: 19.809 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2588.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No