Information card for entry 4035228

Structure parameters

• Formula: C25 H30 O6
• Calculated formula: C25 H30 O6
• SMILES: O1c2c(cc(cc2OC[C@H]1C(O)(C)C)C)[C@H]1c2c(ccc(O)c2C=O)C[C@@H]1C(O)(C)C
• Title of publication: Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.
• Authors of publication: Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 19
• Pages of publication: 11804 - 11813
• a: 22.3394 ± 0.0005 Å
• b: 8.2464 ± 0.0002 Å
• c: 13.8104 ± 0.0003 Å
• α: 90°
• β: 98.821 ± 0.002°
• γ: 90°
• Cell volume: 2514.06 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 3 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0499
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No