Information card for entry 7239120

Structure parameters

• Common name: CPWWSS
• Formula: C25 H22 N4 O2
• Calculated formula: C25 H22 N4 O2
• Title of publication: Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines
• Authors of publication: Barman, Apurba Kr.; Verma, Sandeep
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 34
• Pages of publication: 14691
• a: 19.7959 ± 0.0019 Å
• b: 19.7959 ± 0.0019 Å
• c: 11.155 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4371.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No