Information card for entry 7129086

Structure parameters

• Formula: C32 H24 N O P
• Calculated formula: C32 H24 N O P
• SMILES: N1(P(=O)(C(=C(c2ccccc2)c2ccccc2)c2ccccc12)c1ccccc1)c1ccccc1
• Title of publication: PN-doped tetraphenylnaphthalene: A straightforward synthetic strategy analogous to BN-annulation
• Authors of publication: Park, Jupil; Kim, So Jung; Kwon, Hansol; Jin, Eunji; Yoon, Kihwan; Kim, HyunHo; Shadman, Sahar; Choe, Wonyoung; Kim, Joonghan; Park, Young S.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.347 ± 0.002 Å
• b: 11.03 ± 0.002 Å
• c: 11.987 ± 0.002 Å
• α: 69.43 ± 0.03°
• β: 86.51 ± 0.03°
• γ: 71.1 ± 0.03°
• Cell volume: 1209.6 ± 0.5 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: 0.0704
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1009
• 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: No
• Has Fobs: No