Information card for entry 4022833

Structure parameters

• Common name: Compound-33e
• Formula: C32 H26 N4 O5
• Calculated formula: C32 H26 N4 O5
• SMILES: C1=NC2=CC3[C@H]4[C@@H](C2([C@H]2[C@@H]3C(=O)N(C2=O)c2ccccc2)N1Cc1ccccc1)C(=O)N(C4=O)c1ccccc1.O
• Title of publication: Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles
• Authors of publication: Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3741 - 3749
• a: 20.938 ± 0.006 Å
• b: 9.3858 ± 0.0018 Å
• c: 13.54 ± 0.002 Å
• α: 90°
• β: 93.114 ± 0.017°
• γ: 90°
• Cell volume: 2657 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No