Information card for entry 7024305

Structure parameters

• Common name: FlamS
• Formula: C31 H18 D6 N4 O5
• Calculated formula: C31 H18 D6 N4 O5
• Title of publication: Toward the development of prochelators as fluorescent probes of copper-mediated oxidative stress.
• Authors of publication: Hyman, Lynne M.; Stephenson, Clifton J.; Dickens, Marina G.; Shimizu, Ken D.; Franz, Katherine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 568 - 576
• a: 14.8323 ± 0.0006 Å
• b: 9.7901 ± 0.0004 Å
• c: 18.5178 ± 0.0007 Å
• α: 90°
• β: 99.245 ± 0.001°
• γ: 90°
• Cell volume: 2654.04 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No