Information card for entry 2007582

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-2-amino-5,6-dihydro-benzo[f]quinoline-3-carbonitrile
• Formula: C20 H14 Cl N3
• Calculated formula: C20 H14 Cl N3
• SMILES: n1c(c(c(c2CCc3ccccc3c12)c1ccc(cc1)Cl)C#N)N
• Title of publication: 2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile, a Strongly Fluorescent Phenanthridine Analogue
• Authors of publication: Elgemeie, Galal E.H.; Fathy, Nahed M.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1314 - 1316
• a: 11.885 ± 0.003 Å
• b: 8.004 ± 0.002 Å
• c: 33.795 ± 0.007 Å
• α: 90°
• β: 90.59 ± 0.02°
• γ: 90°
• Cell volume: 3214.7 ± 1.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.0928
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No