Information card for entry 7201880

Structure parameters

• Formula: C47 H32 Cl3 D N8 O8
• Calculated formula: C47 H32 Cl3 D N8 O8
• Title of publication: Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts
• Authors of publication: Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 839
• a: 11.648 ± 0.002 Å
• b: 13.351 ± 0.002 Å
• c: 14.481 ± 0.002 Å
• α: 81.68 ± 0.01°
• β: 89.47 ± 0.01°
• γ: 69.17 ± 0.01°
• Cell volume: 2080.5 ± 0.6 ų
• Cell temperature: 294 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 significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No