Information card for entry 4506030

Structure parameters

• Formula: C41 H35 F12 N6 O12
• Calculated formula: C41 H35 F12 N6 O12
• Title of publication: Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors
• Authors of publication: Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2097
• a: 12.479 ± 0.004 Å
• b: 12.888 ± 0.004 Å
• c: 15.116 ± 0.005 Å
• α: 93.634 ± 0.007°
• β: 94.092 ± 0.007°
• γ: 105.305 ± 0.007°
• Cell volume: 2330.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.3046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No