Information card for entry 1503296

Structure parameters

• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• SMILES: O1C[C@H](N(/N=C2\[C@@H](CCC=C2C)C)C1=O)Cc1ccccc1
• Title of publication: Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.
• Authors of publication: Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 5234 - 5237
• a: 8.1021 ± 0.0002 Å
• b: 9.1077 ± 0.0002 Å
• c: 22.0686 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1628.48 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No