Information card for entry 2004104

Structure parameters

• Chemical name: 2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone
• Formula: C6 H7 Br0.34 Cl0.66 O3
• Calculated formula: C6 H7 Br0.339 Cl0.661 O3
• Title of publication: A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2450 - 2453
• a: 4.5232 ± 0.0008 Å
• b: 10.5764 ± 0.001 Å
• c: 14.8003 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 708.03 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.0821
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No