Information card for entry 1552301

Structure parameters

• Chemical name: 7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine
• Formula: C34 H35 N O4
• Calculated formula: C34 H35 N O4
• SMILES: O(c1cc(c2c3CCc4ccccc4c3nc3c2CCc2ccccc32)ccc1OCCOCCOC)CC
• Title of publication: 7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine
• Authors of publication: Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 9
• Pages of publication: x191205
• a: 9.1797 ± 0.0013 Å
• b: 30.203 ± 0.004 Å
• c: 11.0131 ± 0.0016 Å
• α: 90°
• β: 111.056 ± 0.002°
• γ: 90°
• Cell volume: 2849.6 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0727
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes