Information card for entry 2228628

Structure parameters

• Chemical name: 14-(1,3-Benzodioxol-5-yl)-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine
• Formula: C28 H19 N O2
• Calculated formula: C28 H19 N O2
• SMILES: N1c2ccc3ccccc3c2C(c2c3ccccc3ccc12)c1cc2OCOc2cc1
• Title of publication: 14-(1,3-Benzodioxol-5-yl)-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine
• Authors of publication: Jia, Runhong; Peng, Juhua; Tu, ShuJiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3073
• a: 9.492 ± 0.0011 Å
• b: 11.2767 ± 0.0016 Å
• c: 18.883 ± 0.002 Å
• α: 90°
• β: 102.65 ± 0.002°
• γ: 90°
• Cell volume: 1972.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes