Information card for entry 2238044

Structure parameters

• Chemical name: 1-(4-Hydroxyphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate
• Formula: C16.5 H14 N2 O2.5
• Calculated formula: C16.5 H14 N2 O2.5
• Title of publication: 1-(4-Hydroxyphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate
• Authors of publication: Benaouida, Mohamed Amine; Chetioui, Souheyla; Bouaoud, Salah Eddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o867 - o868
• a: 26.942 ± 0.007 Å
• b: 6.3479 ± 0.0017 Å
• c: 17.579 ± 0.005 Å
• α: 90°
• β: 113.985 ± 0.004°
• γ: 90°
• Cell volume: 2746.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1035
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes