Information card for entry 7120401

Structure parameters

• Common name: trans6aaMe
• 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: P1(=O)(c2c(C(c3c(cccc3)C)c3c1cc(OC)cc3)ccc(OC)c2)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: 7.4318 ± 0.0016 Å
• b: 19.171 ± 0.004 Å
• c: 15.802 ± 0.004 Å
• α: 90°
• β: 94.986 ± 0.003°
• γ: 90°
• Cell volume: 2242.9 ± 0.9 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: 0.0439
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No