Information card for entry 4027531

Structure parameters

• Formula: C42 H40 Br N7 O2
• Calculated formula: C42 H40 Br N7 O2
• Title of publication: Tricolor Emission of a Fluorescent Heteroditopic Ligand over a Concentration Gradient of Zinc(II) Ions
• Authors of publication: Kesavapillai Sreenath; Ronald J. Clark; Lei Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8268 - 8279
• a: 10.1517 ± 0.0006 Å
• b: 14.9384 ± 0.0008 Å
• c: 24.3639 ± 0.0014 Å
• α: 90°
• β: 98.064 ± 0.001°
• γ: 90°
• Cell volume: 3658.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No