Information card for entry 4122384

Structure parameters

• Formula: C30 H32 Br2 N2 O2
• Calculated formula: C30 H32 Br2 N2 O2
• SMILES: Brc1ccc(C(=O)N2CCCC3=C2C[C@@H]2C[C@H](C[C@]43[C@@H]2CCCN4C(=O)c2ccc(Br)cc2)C)cc1.Brc1ccc(C(=O)N2CCCC3=C2C[C@H]2C[C@@H](C[C@@]43[C@H]2CCCN4C(=O)c2ccc(Br)cc2)C)cc1
• Title of publication: Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.
• Authors of publication: Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 33
• Pages of publication: 11618 - 11621
• a: 18.3618 ± 0.0015 Å
• b: 11.6411 ± 0.001 Å
• c: 25.598 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5471.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No