Information card for entry 4036819

Structure parameters

• Formula: C18 H23 Br N4 O
• Calculated formula: C18 H23 Br N4 O
• Title of publication: Examination of Pyridazine as a Possible Scaffold for Nucleophilic Catalysis.
• Authors of publication: Tamaki, Airi; Kojima, Satoshi; Yamamoto, Yohsuke
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 8710 - 8721
• a: 14.289 ± 0.003 Å
• b: 15.287 ± 0.003 Å
• c: 15.562 ± 0.003 Å
• α: 61.452 ± 0.002°
• β: 88.618 ± 0.003°
• γ: 80.588 ± 0.003°
• Cell volume: 2940.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No