Information card for entry 4132358

Structure parameters

• Formula: C62 H44 N4
• Calculated formula: C62 H44 N4
• SMILES: C1C2(CC3(CC(C2)(CC1(C3)c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1
• Title of publication: Metal-Coordination-Induced Fusion Creates Hollow Crystalline Molecular Superstructures.
• Authors of publication: di Gregorio, Maria Chiara; Ranjan, Priyadarshi; Houben, Lothar; Shimon, Linda J. W.; Rechav, Katya; Lahav, Michal; van der Boom, Milko E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 29
• Pages of publication: 9132 - 9139
• a: 26.6512 ± 0.0014 Å
• b: 26.6512 ± 0.0014 Å
• c: 7.0521 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5009 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No