Information card for entry 1548844

Structure parameters

• Formula: C18 H17 N3 O5
• Calculated formula: C18 H17 N3 O5
• SMILES: O=N(=O)c1cc2C(=O)N(CCN3CCOCC3)C(=O)c3cccc(c1)c23
• Title of publication: A New Lysosome Targetable Turn-On Fluorogenic Probe for Carbon Monoxide Imaging in Living Cells.
• Authors of publication: Dhara, Koushik; Lohar, Somenath; Patra, Ayan; Roy, Priya; Saha, Swadhin Kumar; Sadhukhan, Gobinda Chandra; Chattopadhyay, Pabitra
• Journal of publication: Analytical chemistry
• Year of publication: 2018
• a: 6.7656 ± 0.0005 Å
• b: 10.4687 ± 0.0009 Å
• c: 23.6305 ± 0.0017 Å
• α: 90°
• β: 91.552 ± 0.005°
• γ: 90°
• Cell volume: 1673.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2019
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No