Information card for entry 7063040

Structure parameters

• Formula: C27.8 H34.2 Cl1.1 N3.9 O3.9
• Calculated formula: C27.8 H34.2 Cl1.1 N3.9 O3.9
• Title of publication: Modifying the terminal phenyl group of monomethine cyanine dyes as a pathway to brighter nucleic acid probes
• Authors of publication: Alaranta, Johanna M.; Valkonen, Arto M.; Shroff, Sailee S.; Marjomäki, Varpu S.; Rissanen, Kari; Lahtinen, Tanja M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 4931 - 4935
• a: 7.7669 ± 0.0001 Å
• b: 12.944 ± 0.0002 Å
• c: 14.0381 ± 0.0001 Å
• α: 79.614 ± 0.001°
• β: 83.153 ± 0.001°
• γ: 73.862 ± 0.001°
• Cell volume: 1329.92 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No