Information card for entry 2240922

Structure parameters

• Chemical name: 2,3-Dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate
• Formula: C22 H26 N2 O3
• Calculated formula: C22 H26 N2 O3
• SMILES: O(c1c(OC)cc2CCN3Cc4[nH]c5c(c4CC3c2c1)cccc5)C.OC
• Title of publication: Crystal structure of 2,3-dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate
• Authors of publication: Adizov, Shahobiddin M.; Saidov, Abdusalom Sh.; Turgunov, Kambarali K.; Okmanov, Rasul Ya.; Tashkhodjaev, Bakhodir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o574 - o575
• a: 7.608 ± 0.0003 Å
• b: 11.8061 ± 0.0005 Å
• c: 12.3327 ± 0.0005 Å
• α: 65.242 ± 0.004°
• β: 73.956 ± 0.004°
• γ: 75.724 ± 0.004°
• Cell volume: 955.81 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes