Information card for entry 1555571

Structure parameters

• Chemical name: (4aS,4bR,6R,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysen-6-ol
• Formula: C24 H35 N O5
• Calculated formula: C24 H35 N O5
• SMILES: O[C@H]1c2c([C@@]3(CC[C@H]4C(CCC[C@@]4([C@H]3C1)C)(C)C)C)cc(OC)c(OC)c2N(=O)=O
• Title of publication: Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.
• Authors of publication: Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2684 - 2687
• a: 5.9846 ± 0.0016 Å
• b: 7.913 ± 0.002 Å
• c: 12.691 ± 0.003 Å
• α: 99.814 ± 0.01°
• β: 95.953 ± 0.009°
• γ: 107.509 ± 0.01°
• Cell volume: 557 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No