Information card for entry 7120611

Structure parameters

• Formula: C21 H23 Cl N4 O3 S
• Calculated formula: C21 H23 Cl N4 O3 S
• SMILES: [Cl-].s1c(N2C(=O)c3cccc4c(N5CC[NH+](C)CC5)ccc(C2=O)c34)ncc1C.O
• Title of publication: Lysosomal tracking with a cationic naphthalimide using multiphoton fluorescence lifetime imaging microscopy
• Authors of publication: Pascu, Sofia; Li, Meng; Ge, Haobo; Mirabello, Vincenzo; Arrowsmith, Rory L.; Kociok-Kohn, Gabriele; Botchway, Stanley W.; Zhu, Weihong; James, Tony D.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.2813 ± 0.0002 Å
• b: 9.4897 ± 0.0003 Å
• c: 15.4934 ± 0.0006 Å
• α: 91.1888 ± 0.0012°
• β: 101.801 ± 0.0012°
• γ: 100.768 ± 0.0015°
• Cell volume: 1027.54 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No