Information card for entry 2107956

Structure parameters

• Formula: C28 H26 N4 O2
• Calculated formula: C28 H26 N4 O2
• Title of publication: Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study
• Authors of publication: Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 684 - 692
• a: 8.9389 ± 0.0005 Å
• b: 9.7292 ± 0.0007 Å
• c: 16.065 ± 0.0008 Å
• α: 89.067 ± 0.005°
• β: 78.856 ± 0.004°
• γ: 62.927 ± 0.006°
• Cell volume: 1216.48 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes