Information card for entry 7055325

Structure parameters

• Chemical name: 2,8-Bis(4-methoxycarbonylphenyl)-10,10-diphenyl-5,10-dihydrophenazasiline
• Formula: C42 H34 N2 O4 Si
• Calculated formula: C42 H34 N2 O4 Si
• SMILES: [Si]1(c2ccccc2)(c2c(Nc3ccc(cc13)c1ccc(cc1)C(=O)OC)ccc(c1ccc(C(=O)OC)cc1)c2)c1ccccc1.C(#N)C
• Title of publication: Synthesis of ester-substituted dihydroacridine derivatives and their spectroscopic properties
• Authors of publication: Suzuki, Ryota; Tada, Reiki; Hosoda, Takumi; Miura, Youhei; Yoshioka, Naoki
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2920 - 2926
• a: 35.973 ± 0.009 Å
• b: 9.0438 ± 0.0019 Å
• c: 21.966 ± 0.006 Å
• α: 90°
• β: 99.707 ± 0.008°
• γ: 90°
• Cell volume: 7044 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2164
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No