Information card for entry 4108082

Structure parameters

• Common name: milpp01
• Formula: C27.5 H22 N6
• Calculated formula: C27.5 H22 N6
• Title of publication: Selective Recognition of Alkyl Pyranosides in Protic and Aprotic Solvents
• Authors of publication: Prakash B. Palde; Peter C. Gareiss; Benjamin L. Miller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9566 - 9573
• a: 5.6367 ± 0.0009 Å
• b: 12.1719 ± 0.0019 Å
• c: 17.353 ± 0.004 Å
• α: 76.461 ± 0.002°
• β: 81.464 ± 0.004°
• γ: 76.789 ± 0.002°
• Cell volume: 1121.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No