Information card for entry 4035229

Structure parameters

• Formula: C26 H32 O7
• Calculated formula: C26 H32 O7
• SMILES: O1c2c(OC[C@H]1C(O)(C)C)cc(cc2[C@H]1OC(=O)c2c1c(ccc2O)CC=C(C)C)C.OC
• 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: 7.1755 ± 0.0003 Å
• b: 13.5398 ± 0.0004 Å
• c: 24.583 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2388.36 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No