Information card for entry 7201727

Structure parameters

• Formula: C48 H35 Cl3 N2
• Calculated formula: C48 H35 Cl3 N2
• Title of publication: The structural convergence of two aromatic inclusion host families
• 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: 1
• Pages of publication: 131
• a: 10.342 ± 0.004 Å
• b: 13.641 ± 0.006 Å
• c: 14.134 ± 0.006 Å
• α: 103.21 ± 0.03°
• β: 93.07 ± 0.02°
• γ: 103.41 ± 0.03°
• Cell volume: 1876.3 ± 1.4 ų
• Cell temperature: 294 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 significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No