Information card for entry 4131921

Structure parameters

• Formula: C27 H19 N2 P
• Calculated formula: C27 H19 N2 P
• SMILES: p1(c(cc(cc1C#N)/C=C/c1ccccc1)C#N)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Photophysical Properties of λ⁵-Phosphinines as a Tunable Fluorophore.
• Authors of publication: Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 6
• Pages of publication: 2046 - 2049
• a: 15.317 ± 0.006 Å
• b: 8.924 ± 0.003 Å
• c: 16.982 ± 0.006 Å
• α: 90°
• β: 111.376 ± 0.006°
• γ: 90°
• Cell volume: 2161.6 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No