Information card for entry 7214321

Structure parameters

• Formula: C50 H73 N3 O9
• Calculated formula: C50 H73 N3 O9
• Title of publication: Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state
• Authors of publication: Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3758
• a: 11.7076 ± 0.0005 Å
• b: 14.7176 ± 0.0006 Å
• c: 15.4943 ± 0.0006 Å
• α: 107.092 ± 0.002°
• β: 94.407 ± 0.002°
• γ: 110.946 ± 0.002°
• Cell volume: 2333.23 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No