Information card for entry 1501842

Structure parameters

• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• SMILES: N1(/C(=C\c2ccc(OC)cc2)C(=NC(=C\c2ccc(OC)cc2)/C1=O)OC)C
• Title of publication: Α-pyrones and diketopiperazine derivatives from the marine-derived actinomycete Nocardiopsis dassonvillei HR10-5.
• Authors of publication: Fu, Peng; Liu, Peipei; Qu, Haijun; Wang, Yi; Chen, Dianfeng; Wang, Hui; Li, Jing; Zhu, Weiming
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 2219 - 2223
• a: 7.155 ± 0.0008 Å
• b: 25.307 ± 0.002 Å
• c: 12.8341 ± 0.00011 Å
• α: 90°
• β: 123.88 ± 0.002°
• γ: 90°
• Cell volume: 1929.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No