Information card for entry 7113095

Structure parameters

• Formula: C71 H84 N20 O8
• Calculated formula: C71 H84 N20 O8
• Title of publication: Model systems for flavoenzyme activity: an investigation of the role functionality attached to the C(7) position of the flavin unit has on redox and molecular recognition properties.
• Authors of publication: Caldwell, Stuart T.; Farrugia, Louis J.; Hewage, Shanika Gunatilaka; Kryvokhyzha, Nadiya; Rotello, Vincent M.; Cooke, Graeme
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1350 - 1352
• a: 10.301 ± 0.0004 Å
• b: 11.84 ± 0.0005 Å
• c: 16.1447 ± 0.0007 Å
• α: 106.983 ± 0.002°
• β: 108.228 ± 0.002°
• γ: 106.322 ± 0.002°
• Cell volume: 1631.49 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No