Information card for entry 4317160

Structure parameters

• Common name: p
• Formula: C47 H48 N6 O2
• Calculated formula: C47 H48 N6 O2
• SMILES: O1c2cc(N(CC)CC)ccc2C2(N(C(=O)c3ccccc23)c2ccccc2CN(Cc2ncccc2)Cc2ncccc2)c2c1cc(N(CC)CC)cc2
• Title of publication: A Highly Selective Turn-On Colorimetric, Red Fluorescent Sensor for Detecting Mobile Zinc in Living Cells
• Authors of publication: Pingwu Du; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10753 - 10755
• a: 12.5841 ± 0.0007 Å
• b: 12.6835 ± 0.0007 Å
• c: 13.745 ± 0.0007 Å
• α: 112.926 ± 0.001°
• β: 98.129 ± 0.001°
• γ: 100.909 ± 0.001°
• Cell volume: 1927.09 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No