Information card for entry 4108303

Structure parameters

• Formula: C39 H40 Cl2 N6 O15 Zn2
• Calculated formula: C39 H40 Cl2 N6 O15 Zn2
• Title of publication: Turn-On Fluorescence Sensing of Nucleoside Polyphosphates Using a Xanthene-Based Zn(II) Complex Chemosensor
• Authors of publication: Akio Ojida; Ippei Takashima; Takahiro Kohira; Hiroshi Nonaka; Itaru Hamachi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12095 - 12101
• a: 15.406 ± 0.002 Å
• b: 12.3503 ± 0.0013 Å
• c: 21.961 ± 0.002 Å
• α: 90°
• β: 93.196 ± 0.006°
• γ: 90°
• Cell volume: 4172 ± 0.8 ų
• Cell temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 2.994
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No