Information card for entry 2201986

Structure parameters

• Chemical name: 14-n-Butyldibenz[a,h]acridine
• Formula: C25 H21 N
• Calculated formula: C25 H21 N
• SMILES: n1c2c(c(c3c1c1c(cc3)cccc1)CCCC)c1c(cc2)cccc1
• Title of publication: 14-<i>n</i>-Butyldibenz[<i>a,h</i>]acridine
• Authors of publication: Ray, Jayanta Kumar; Roy, Bidhan Chandra; Pan, Dipanjan; Canle, L. M.; Santaballa, J. A.; Mahía, Jose
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o514 - o516
• a: 19.5507 ± 0.0011 Å
• b: 12.7195 ± 0.0007 Å
• c: 14.7732 ± 0.0008 Å
• α: 90°
• β: 93.322 ± 0.001°
• γ: 90°
• Cell volume: 3667.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes