Information card for entry 7060794

Structure parameters

• Formula: C12 H14 O5
• Calculated formula: C12 H14 O5
• SMILES: O[C@]1(c2c(C(=O)O[C@H]1C)c(O)c(c(O)c2)C)C
• Title of publication: (±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9
• Authors of publication: Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 12700 - 12704
• a: 18.0572 ± 0.0004 Å
• b: 18.0572 ± 0.0004 Å
• c: 6.7365 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.52 ± 0.09 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 3
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No