Information card for entry 7151510

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• SMILES: N(=O)(=O)c1ccc(cc1)/C=C(/C=C(/C=C(/C=C/C(=O)OCC)C)C)C
• Title of publication: Biomimetic studies on polyenes
• Authors of publication: John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 21
• Pages of publication: 3670 - 3684
• a: 15.0086 ± 0.0005 Å
• b: 8.0675 ± 0.0003 Å
• c: 15.1036 ± 0.0005 Å
• α: 90°
• β: 98.916 ± 0.002°
• γ: 90°
• Cell volume: 1806.67 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0561
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No