Information card for entry 7120400

Structure parameters

• Common name: cis6abMe
• Chemical name: 3,7-dimethoxy-5-phenyl-10-(o-tolyl)-10H-acridophosphine 5-oxide
• Formula: C28 H25 O3 P
• Calculated formula: C28 H25 O3 P
• SMILES: [P@]1(=O)(c2cccc(OC)c2[C@H](c2c1cc(OC)cc2)c1ccccc1C)c1ccccc1.[P@@]1(=O)(c2cccc(OC)c2[C@@H](c2c1cc(OC)cc2)c1ccccc1C)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: 9.23 ± 0.01 Å
• b: 26.54 ± 0.03 Å
• c: 9.263 ± 0.01 Å
• α: 90°
• β: 104.736 ± 0.018°
• γ: 90°
• Cell volume: 2194 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.307
• Weighted residual factors for all reflections included in the refinement: 0.3458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No