Information card for entry 7246562

Structure parameters

• Chemical name: A9
• Formula: C28 H35 N O4
• Calculated formula: C28 H35 N O4
• SMILES: O=C1N[C@H]([C@@H]2[C@@H]([C@H](C(=O)[C@H]3[C@]12[C@H](O)/C=C/[C@@H](C(=O)[C@H](C/C=C/3)C)C)C)C)Cc1ccccc1
• Title of publication: Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240
• Authors of publication: Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 10564 - 10576
• a: 7.3344 ± 0.0002 Å
• b: 14.2208 ± 0.0004 Å
• c: 24.1002 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2513.68 ± 0.12 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0426
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No