Information card for entry 7154549

Structure parameters

• Formula: C19 H17 B Br Cl2 F2 N3 O2
• Calculated formula: C19 H17 B Br F2 N3 O2
• SMILES: Brc1n2c(C(c3c(cccc3)O)=c3ccc(N4CCOCC4)[n]3[B]2(F)F)cc1
• Title of publication: Lysosome targeting fluorescence probe for imaging intracellular thiols.
• Authors of publication: Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8163 - 8168
• a: 14.8291 ± 0.0004 Å
• b: 12.6719 ± 0.0003 Å
• c: 21.3493 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4011.81 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2562
• Residual factor for significantly intense reflections: 0.2522
• Weighted residual factors for significantly intense reflections: 0.6214
• Weighted residual factors for all reflections included in the refinement: 0.6287
• Goodness-of-fit parameter for all reflections included in the refinement: 6.502
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No