Information card for entry 4021018

Structure parameters

• Formula: C28.5 H37 N6.5 O4.5
• Calculated formula: C28.89 H27 N6.5 O4.5
• Title of publication: Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State
• Authors of publication: Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5196 - 5203
• a: 9.5265 ± 0.0002 Å
• b: 11.831 ± 0.003 Å
• c: 13.775 ± 0.003 Å
• α: 80.63 ± 0.02°
• β: 73.94 ± 0.02°
• γ: 80.7 ± 0.02°
• Cell volume: 1460.9 ± 0.5 ų
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No