Information card for entry 7120990

Structure parameters

• Formula: C21 H22 N2 O2
• Calculated formula: C21 H22 N2 O2
• SMILES: Oc1cc2ccccc2cc1/N=C/c1c(O)cc(N(CC)CC)cc1
• Title of publication: Water soluble two-photon fluorescent organic probes for long-term imaging of lysosomes in live cells and tumor spheroids.
• Authors of publication: Kumari, Pratibha; Verma, Sanjay K.; Mobin, Shaikh M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 539 - 542
• a: 10.467 ± 0.002 Å
• b: 6.9909 ± 0.0013 Å
• c: 23.485 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.3837
• Weighted residual factors for all reflections included in the refinement: 0.413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No