Information card for entry 7243493

Structure parameters

• Common name: yt_dsj2
• Formula: C17 H29 N O3
• Calculated formula: C17 H25 N O3
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)CCc1nc(ccc21)C)C.O.O
• Title of publication: Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa
• Authors of publication: Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 47
• Pages of publication: 29684 - 29689
• a: 9.706 ± 0.0009 Å
• b: 24.576 ± 0.002 Å
• c: 14.6471 ± 0.0017 Å
• α: 90°
• β: 109.129 ± 0.004°
• γ: 90°
• Cell volume: 3300.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.3024
• Weighted residual factors for all reflections included in the refinement: 0.3132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No