Information card for entry 1508781

Structure parameters

• Formula: C29 H35 N O5
• Calculated formula: C29 H35 N O5
• SMILES: O=C1NC(=O)[C@@H](c2ccccc2)[C@@H]2[C@@H](C(=C[C@H]3[C@]12C(=O)[C@H]1[C@@H]3[C@]2(O[C@]1(O)[C@H](C[C@H](C2)C)C)C)C)C
• Title of publication: Chaetoconvosins A and B, Alkaloids with New Skeleton from Fungus Chaetomium convolutum.
• Authors of publication: Xu, Guo-Bo; Li, Li-Mei; Yang, Tao; Zhang, Guo-Lin; Li, Guo-You
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6052 - 6055
• a: 8.7606 ± 0.0005 Å
• b: 9.588 ± 0.0005 Å
• c: 18.8582 ± 0.0009 Å
• α: 90°
• β: 103.118 ± 0.005°
• γ: 90°
• Cell volume: 1542.69 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0867
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No