Information card for entry 7037825

Structure parameters

• Chemical name: Ac20_5
• Formula: C58 H95 N7 O9 P2
• Calculated formula: C58 H95 N7 O9 P2
• Title of publication: Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water.
• Authors of publication: Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3078 - 3085
• a: 22.394 ± 0.012 Å
• b: 16.369 ± 0.008 Å
• c: 17.539 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6429 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2651
• Weighted residual factors for all reflections included in the refinement: 0.3026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No