Information card for entry 7024304

Structure parameters

• Common name: FlamB
• Formula: C34 H35 B N2 O8
• Calculated formula: C34 H35 B N2 O8
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1c(/C=N/N2C3(c4ccc(O)cc4Oc4cc(O)ccc34)c3ccccc3C2=O)cccc1.O.OC
• 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: 9.62 ± 0.0003 Å
• b: 12.0315 ± 0.0004 Å
• c: 14.4614 ± 0.0005 Å
• α: 100.699 ± 0.002°
• β: 107.549 ± 0.002°
• γ: 99.854 ± 0.002°
• Cell volume: 1521.39 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No