Information card for entry 7218679

Structure parameters

• Chemical name: ()-trans-NSD-09-184-F1
• Formula: C20 H25 N O3
• Calculated formula: C20 H25 N O3
• SMILES: O=C[C@H]1[C@H](c2c[nH]c3c2cc(OC)c(OC)c3)C=C(CC1(C)C)C
• Title of publication: One-pot Biomimetic Total Synthesis of Yuehchukene via the Organocatalytic Alkylation-cyclization Process of a Sterically Encumbered α-Alkyl Enal
• Authors of publication: Dange, Nitin S.; HONG, BOR-CHERNG; Lee, Gene-Hsiang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.6171 ± 0.0003 Å
• b: 11.0858 ± 0.0003 Å
• c: 14.9945 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.84 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No