Information card for entry 2010238

Structure parameters

• Common name: H~2~omtaa
• Chemical name: 2,3,6,8,11,12,15,17-octamethyl-5,14-dihydro-5,9,14,18-tetraaza-dibenzo[a,h]- cyclotetradecene
• Formula: C26 H32 N4
• Calculated formula: C26 H32 N4
• SMILES: N1c2c(N=C(C=C(Nc3c(N=C(C=C1C)C)cc(c(c3)C)C)C)C)cc(c(c2)C)C
• Title of publication: A dibenzotetraaza[14]annulene
• Authors of publication: Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2037 - 2039
• a: 20.787 ± 0.003 Å
• b: 11.3823 ± 0.0008 Å
• c: 19.443 ± 0.003 Å
• α: 90°
• β: 97.1 ± 0.02°
• γ: 90°
• Cell volume: 4565 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.0749
• Goodness-of-fit parameter for all reflections: 0.771
• 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