Information card for entry 7225035

Structure parameters

• Chemical name: Sporulosines A (1) and B (2)
• Formula: C15 H21 N O2
• Calculated formula: C15 H21 N O2
• SMILES: O1[C@]2(NC(=O)[C@H](C2)C)C[C@@]2([C@H]3CCC(=C)[C@@H]2C3)C1.O1[C@@]2(NC(=O)[C@H](C2)C)C[C@]2([C@H]3C[C@@H]2CCC3=C)C1
• Title of publication: Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03
• Authors of publication: Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 48
• Pages of publication: 42361
• a: 12.3508 ± 0.0003 Å
• b: 12.2285 ± 0.0003 Å
• c: 17.9527 ± 0.0003 Å
• α: 90°
• β: 94.4756 ± 0.0018°
• γ: 90°
• Cell volume: 2703.16 ± 0.1 ų
• Cell temperature: 102.5 K
• Ambient diffraction temperature: 102.5 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: 0.0485
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No