Information card for entry 7118104

Structure parameters

• Chemical name: ER_F
• Formula: C29 H25 B F2 N2 O2
• Calculated formula: C29 H25 B F2 N2 O2
• SMILES: F[B]1(F)[n]2c(=C(c3ccccc3)c3n1c(cc3C)/C=C/c1ccc(OC(=O)C=C)cc1)c(cc2C)C
• Title of publication: A fluorescent probe for specific detection of cysteine in the lipid dense region of cells
• Authors of publication: Firoj Ali; Anila H. A.; Nandaraj Taye; Rajesh G. Gonnade; Samit Chattopadhyay; Amitava Das
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16932
• a: 10.4699 ± 0.0007 Å
• b: 10.9521 ± 0.0007 Å
• c: 12.2593 ± 0.0007 Å
• α: 108.143 ± 0.003°
• β: 95.509 ± 0.004°
• γ: 106.047 ± 0.004°
• Cell volume: 1258.03 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No