Information card for entry 2232667

Structure parameters

• Chemical name: 3-[4-(10<i>H</i>-Indolo[3,2-<i>b</i>]quinolin-11-yl)piperazin-1-yl]propan-1-ol
• Formula: C22 H24 N4 O
• Calculated formula: C22 H24 N4 O
• SMILES: OCCCN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc23)CC1
• Title of publication: 3-[4-(10<i>H</i>-Indolo[3,2-<i>b</i>]quinolin-11-yl)piperazin-1-yl]propan-1-ol
• Authors of publication: Nichol, Gary S.; Boddupally, Peda V. L.; De, Biswanath; Hurley, Laurence H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3465 - o3466
• a: 11.218 ± 0.002 Å
• b: 15.673 ± 0.003 Å
• c: 11.847 ± 0.002 Å
• α: 90°
• β: 117.417 ± 0.002°
• γ: 90°
• Cell volume: 1849 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes