Information card for entry 4035536

Structure parameters

• Chemical name: ON-892a
• Formula: C30 H19 N
• Calculated formula: C30 H19 N
• SMILES: n1(c2c(c3c1ccc1c3cccc1)c1c(c3c2cccc3)cccc1)c1ccccc1
• Title of publication: Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.
• Authors of publication: Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 7994 - 8002
• a: 15.0047 ± 0.0002 Å
• b: 12.1799 ± 0.0002 Å
• c: 21.4763 ± 0.0003 Å
• α: 90°
• β: 95.513 ± 0.001°
• γ: 90°
• Cell volume: 3906.76 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No