Information card for entry 7113780

Structure parameters

• Formula: C40 H32 N4
• Calculated formula: C40 H32 N4
• SMILES: c1cc(ccn1)[C@@H]1[C@H]2c3ccc(cc3)[C@H]3[C@H]([C@H](c4ccncc4)[C@@H]3c3ccncc3)c3ccc(cc3)[C@H]2[C@@H]1c1ccncc1
• Title of publication: 'Template-switching': a supramolecular strategy for the quantitative, gram-scale construction of a molecular target in the solid state
• Authors of publication: Friščič, Tomislav; MacGillivray, Leonard R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 1306 - 1307
• a: 15.489 ± 0.002 Å
• b: 8.0478 ± 0.001 Å
• c: 11.5227 ± 0.0014 Å
• α: 90°
• β: 96.991 ± 0.002°
• γ: 90°
• Cell volume: 1425.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103672
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No