Information card for entry 7103263

Structure parameters

• Formula: C107 H162 Cl6 N6 O12 P2
• Calculated formula: C104 H153.6 N6 O12 P2
• Title of publication: An anion receptor with NH and OH groups for hydrogen bonds.
• Authors of publication: Ju, Jungjae; Park, Mira; Suk, Jae-Min; Lah, Myoung Soo; Jeong, Kyu-Sung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3546 - 3548
• a: 15.618 ± 0.003 Å
• b: 25.838 ± 0.005 Å
• c: 30.105 ± 0.006 Å
• α: 90°
• β: 101.5 ± 0.03°
• γ: 90°
• Cell volume: 11905 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No