Information card for entry 4036053

Structure parameters

• Common name: RCG-0193a-2
• Formula: C28 H30.28 N4 O0.14
• Calculated formula: C28 H30.2812 N4 O0.1406
• Title of publication: Synthesis of 5,12-Diazapentacenes and Their Properties.
• Authors of publication: Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 21.0773 ± 0.0014 Å
• b: 6.9231 ± 0.0005 Å
• c: 16.9633 ± 0.0011 Å
• α: 90°
• β: 101.741 ± 0.002°
• γ: 90°
• Cell volume: 2423.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No