Information card for entry 7151511

Structure parameters

• Formula: C25 H23 N3 O8
• Calculated formula: C25 H23 N3 O8
• SMILES: C1(=C[C@]2([C@@H]([C@]3([C@@H]1[C@H]3[C@H]2COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)C)c1ccc(cc1)N(=O)=O)C)C.C1(=C[C@@]2([C@H]([C@@]3([C@H]1[C@@H]3[C@@H]2COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)C)c1ccc(cc1)N(=O)=O)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: 8.0506 ± 0.0004 Å
• b: 12.3846 ± 0.0005 Å
• c: 13.2746 ± 0.0007 Å
• α: 64.465 ± 0.002°
• β: 86.93 ± 0.002°
• γ: 73.06 ± 0.002°
• Cell volume: 1138.44 ± 0.1 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: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No