Information card for entry 8100869

Structure parameters

• Formula: C24 H36 N6
• Calculated formula: C24 H36 N6
• SMILES: N12N=C([C@@]3(CCCC13N1N=C([C@]3(CCCC13N1N=C([C@@]3(CCCC213)C)C)C)C)C)C.N12N=C([C@]3(CCCC13N1N=C([C@@]3(CCCC13N1N=C([C@]3(CCCC213)C)C)C)C)C)C
• Title of publication: Crystal structure of (3aα,8aα,13aβ)-3a,4,8a,9,13a, 14-hexamethyl-1,2,3, 3a,6,7,8,8a,11,12,13,13a-tris(cyclopenta[4,5:4', 5':4'',5'']pyrazolo) [1,5-a:1',5'-c:1'',5''-e]triazine, C~24~H~36~N~6~
• Authors of publication: Peters, E.-M.; Peters, K.; Librera, C. P.; Adam, W.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 123 - 125
• a: 9.767 ± 0.001 Å
• b: 16.724 ± 0.002 Å
• c: 27.337 ± 0.003 Å
• α: 90°
• β: 93.47 ± 0.01°
• γ: 90°
• Cell volume: 4457.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No