Information card for entry 1502830

Structure parameters

• Formula: C22 H34 O7
• Calculated formula: C22 H34 O7
• SMILES: C1CC[C@@]([C@@H]2CC=C3[C@@H]([C@@]12C)C[C@]12[C@](C3)(O)[C@H]3O[C@]3([C@@H](O)[C@H]1O2)CO)(C)CO.O
• Title of publication: Hymenopsins A and B and a macrophorin analogue from a fungicolous Hymenopsis sp.
• Authors of publication: Schmidt, Lori E.; Deyrup, Stephen T.; Baltrusaitis, Jonas; Swenson, Dale C.; Wicklow, Donald T.; Gloer, James B.
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 404 - 408
• a: 7.4736 ± 0.0008 Å
• b: 10.0105 ± 0.0011 Å
• c: 13.8215 ± 0.0014 Å
• α: 90°
• β: 91.314 ± 0.005°
• γ: 90°
• Cell volume: 1033.78 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No