Information card for entry 7124767

Structure parameters

• Common name: Cis-DNP-Calix[4]pyrrole-TBAH2PO4
• Chemical name: Cis-dinitrophenyl-calix[4]pyrrole-tetrabutylammonium dihydrogenphosphate
• Formula: C72 H116 Cl3 N10 O18 P2
• Calculated formula: C72 H116 Cl3 N10 O18 P2
• Title of publication: Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.
• Authors of publication: Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 74
• Pages of publication: 11139 - 11142
• a: 18.5581 ± 0.0012 Å
• b: 19.3272 ± 0.0012 Å
• c: 23.1017 ± 0.0015 Å
• α: 86.218 ± 0.002°
• β: 87.845 ± 0.002°
• γ: 81.721 ± 0.002°
• Cell volume: 8178.5 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No