Information card for entry 7153324

Structure parameters

• Common name: (2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde
• Chemical name: (2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O=CC1=CCCC(=CCC1)C=O
• Title of publication: Biomimetically relevant self-condensations of C5 units derived from lysine.
• Authors of publication: Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2522 - 2528
• a: 7.16 ± 0.004 Å
• b: 13.956 ± 0.005 Å
• c: 8.879 ± 0.004 Å
• α: 90°
• β: 101.312 ± 0.005°
• γ: 90°
• Cell volume: 870 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No