Information card for entry 7151512

Structure parameters

• Formula: C28 H27 N3 O8
• Calculated formula: C28 H27 N3 O8
• SMILES: c1(cc(cc(c1)N(=O)=O)N(=O)=O)C(=O)OC/C=C/C(=C/[C@]1(C=C(C=C([C@H]1c1ccc(cc1)N(=O)=O)C)C)C)C.c1(cc(cc(c1)N(=O)=O)N(=O)=O)C(=O)OC/C=C/C(=C/[C@@]1(C=C(C=C([C@@H]1c1ccc(cc1)N(=O)=O)C)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: 9.5061 ± 0.0002 Å
• b: 11.9924 ± 0.0003 Å
• c: 12.1678 ± 0.0003 Å
• α: 73.7785 ± 0.0011°
• β: 84.7859 ± 0.0009°
• γ: 80.7467 ± 0.0013°
• Cell volume: 1313.04 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No