Information card for entry 4517549

Structure parameters

• Formula: C12 H14 N2 O
• Calculated formula: C12 H14 N2 O
• Title of publication: Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.
• Authors of publication: Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 8515 - 8522
• a: 5.0909 ± 0.0007 Å
• b: 18.372 ± 0.003 Å
• c: 11.6238 ± 0.0014 Å
• α: 90°
• β: 98.735 ± 0.004°
• γ: 90°
• Cell volume: 1074.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1299
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No