Information card for entry 1554824

Structure parameters

• Formula: C20 H14 O5
• Calculated formula: C20 H14 O5
• SMILES: c12cccc(c1[C@]1([C@@H](CC2=O)Oc2cccc3c(ccc1c23)O)O)O.c12cccc(c1[C@@]1([C@H](CC2=O)Oc2cccc3c(ccc1c23)O)O)O
• Title of publication: Muta-mycosynthesis of naphthalene analogs.
• Authors of publication: Tian, Yuan; Jiang, Nan; Zhang, Ai Hua; Chen, Chao Jun; Deng, Xin Zhao; Zhang, Wen Jing; Tan, Ren Xiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1457 - 1460
• a: 9.0391 ± 0.0003 Å
• b: 9.7069 ± 0.0003 Å
• c: 17.2285 ± 0.0005 Å
• α: 90°
• β: 102.573 ± 0.002°
• γ: 90°
• Cell volume: 1475.41 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No