Information card for entry 7151513

Structure parameters

• Common name: 4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate
• Chemical name: 4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate
• Formula: C20 H22 N2 O6
• Calculated formula: C20 H22 N2 O6
• SMILES: c1(cc(cc(c1)N(=O)=O)N(=O)=O)C(=O)OC/C=C/C(=C/C(=C/C(=C/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: 13.1953 ± 0.0002 Å
• b: 8.0054 ± 0.0002 Å
• c: 19.1169 ± 0.0004 Å
• α: 90°
• β: 107.708 ± 0.0008°
• γ: 90°
• Cell volume: 1923.7 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No