Information card for entry 2223321

Structure parameters

• Chemical name: <i>N</i>^4^,<i>N</i>^8^,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-\ pentaazatricyclo[5.2.1.1^2,5^]undecane-4,8-diamine
• Formula: C48 H43 N7
• Calculated formula: C48 H43 N7
• SMILES: N1([C@H]2N([C@@H](Nc3ccccc3)[C@@H]1N([C@@H]1N([C@H]2N([C@H]1Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>^4^,<i>N</i>^8^,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-pentaazatricyclo[5.2.1.1^2,5^]undecane-4,8-diamine
• Authors of publication: Taheri, Amir; Moosavi, Sayed Mojtaba
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2337
• a: 9.4889 ± 0.0019 Å
• b: 9.6252 ± 0.0019 Å
• c: 10.967 ± 0.002 Å
• α: 113.924 ± 0.004°
• β: 94.555 ± 0.004°
• γ: 93.835 ± 0.004°
• Cell volume: 907.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes