Information card for entry 7120399

Structure parameters

• Common name: SNAPF-Me2
• Formula: C31 H23 O3 P
• Calculated formula: C31 H23 O3 P
• SMILES: [P]1(=O)(C2=CC(=O)C=CC2=C(c2cc3ccc(cc3cc12)O)c1c(cccc1C)C)c1ccccc1
• Title of publication: Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines
• Authors of publication: Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.735 ± 0.0007 Å
• b: 15.9966 ± 0.0009 Å
• c: 15.9748 ± 0.0015 Å
• α: 90°
• β: 105.392 ± 0.004°
• γ: 90°
• Cell volume: 2398.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No