Information card for entry 7204099

Structure parameters

• Formula: C20 H17 N5 O2
• Calculated formula: C20 H17 N5 O2
• SMILES: c1c2[C@@H]3C=C[C@H](c2cnn1)C3(C(=C)C)N1C(=O)N(C(=O)N1)c1ccccc1
• Title of publication: Neighboring group effect of pyridazine and pyrazine rings for π-facial selectivity in the reactions of fused isopropylidenenorbornene systems with electrophilic reagents
• Authors of publication: Kobayashi, Tomoshige; Miki, Kiyomi; Nikaeen, Behrooz; Ohta, Akira
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1372
• a: 8.1189 ± 0.0003 Å
• b: 10.5252 ± 0.0004 Å
• c: 11.2494 ± 0.0003 Å
• α: 100.943 ± 0.003°
• β: 103.565 ± 0.003°
• γ: 93.725 ± 0.003°
• Cell volume: 911.43 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.1129
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No