Information card for entry 7154008

Structure parameters

• Formula: C23 H25 N5 O5
• Calculated formula: C23 H25 N5 O5
• SMILES: [C@@H]1(C[C@@H]([C@@H](CO)O1)O)N1C(=O)NC(=O)C(=C1)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1
• Title of publication: Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.
• Authors of publication: Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 7844 - 7858
• a: 5.5457 ± 0.0003 Å
• b: 8.9659 ± 0.0003 Å
• c: 42.4254 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.48 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No