Information card for entry 2006853

Structure parameters

• Formula: C27 H21 N
• Calculated formula: C27 H21 N
• SMILES: n1c2c3ccccc3ccc2cc2c3cccc4c3c(c12)c(cc4)CCCC
• Title of publication: 6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline
• Authors of publication: Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1864 - 1865
• a: 19.289 ± 0.004 Å
• b: 6.058 ± 0.001 Å
• c: 16.792 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.01°
• γ: 90°
• Cell volume: 1942 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.117
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for significantly intense reflections: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No