Information card for entry 1547608

Structure parameters

• Formula: C24 H35 N O2
• Calculated formula: C24 H35 N O2
• SMILES: O1N=C(C[C@H]2[C@](O)(CC[C@H]3C(CCC[C@]23C)(C)C)C)C[C@H]1c1ccccc1
• Title of publication: "Carbon Assimilation" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.
• Authors of publication: Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2017
• Journal volume: 65
• Journal issue: 41
• Pages of publication: 9013 - 9021
• a: 9.67127 ± 0.00007 Å
• b: 7.05127 ± 0.00007 Å
• c: 15.44464 ± 0.00012 Å
• α: 90°
• β: 93.4847 ± 0.0006°
• γ: 90°
• Cell volume: 1051.3 ± 0.015 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0387
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No