Information card for entry 7100467

Structure parameters

• Formula: C89.5 H80 N4 O12
• Calculated formula: C89.5 H80 N4 O12
• Title of publication: Tetraalkynyl calix[4]arenes with advanced NLO properties
• Authors of publication: Hennrich, Gunther; Murillo, Teresa; Pados, Pilar; Kai, Song; Asselberghs, Inge; Clays, Koen; Persoons, Andre; Benet-Buchholz, Jordi; de Mendoza, Javier
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 29.41 ± 0.003 Å
• b: 17.1574 ± 0.0019 Å
• c: 31.21 ± 0.004 Å
• α: 90°
• β: 108.879 ± 0.003°
• γ: 90°
• Cell volume: 14902 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No