Information card for entry 7055324

Structure parameters

• Chemical name: 2,7-Bis(4-methoxycarbonylphenyl)-9,9-diphenyl-9,10-dihydroacridine)
• Formula: C41 H31 N O4
• Calculated formula: C41 H31 N O4
• SMILES: c12cc(c3ccc(C(=O)OC)cc3)ccc1Nc1c(C2(c2ccccc2)c2ccccc2)cc(c2ccc(C(=O)OC)cc2)cc1
• 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: 12.2394 ± 0.0007 Å
• b: 18.8894 ± 0.0011 Å
• c: 13.5842 ± 0.0008 Å
• α: 90°
• β: 92.6687 ± 0.0018°
• γ: 90°
• Cell volume: 3137.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No