Information card for entry 7120277

Structure parameters

• Formula: C42 H44 N4 O4
• Calculated formula: C42 H44 N4 O4
• SMILES: O1c2c(C3(N(C(=O)c4c3cccc4)CCNC(=O)COc3cccc4c3cccc4)c3c1cc(N(CC)CC)cc3)ccc(N(CC)CC)c2
• Title of publication: Differential detection and quantification of cyclic AMP and other adenosine phosphates in live cell
• Authors of publication: DAS, SUJOY; Sarkar, Himadri Sekhar Sekhar; Uddin, Md. Raihan; Rissanen, Kari; Mandal, Sukhendu; Sahoo, Prithidipa
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.3458 ± 0.0013 Å
• b: 16.7974 ± 0.0013 Å
• c: 13.2752 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3644.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No