Information card for entry 1512561

Structure parameters

• Common name: aniduquinolone a
• Formula: C27 H33 N O6
• Calculated formula: C27 H33 N O6
• SMILES: CO[C@@H]1C(=O)Nc2c([C@@]1(O)c1ccccc1)c(O)c(cc2)/C=C/[C@@]1(C)CC[C@@H](O1)C(=C)C.CO
• Title of publication: 4-Phenyl-3,4-dihydroquinolone Derivatives from Aspergillus nidulans MA-143, an Endophytic Fungus Isolated from the Mangrove Plant Rhizophora stylosa.
• Authors of publication: An, Chun-Yan; Li, Xiao-Ming; Luo, Han; Li, Chun-Shun; Wang, Ming-Hui; Xu, Gang-Ming; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1896 - 1901
• a: 8.3638 ± 0.0008 Å
• b: 13.8405 ± 0.0012 Å
• c: 11.1316 ± 0.0011 Å
• α: 90°
• β: 94.755 ± 0.001°
• γ: 90°
• Cell volume: 1284.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No