Information card for entry 4021019

Structure parameters

• Formula: C50 H56 N8 O12
• Calculated formula: C50 H56 N8 O12
• SMILES: OC(=O)C.OC(=O)C.O=c1[nH]c(cc2[nH]c3c(c12)C[C@@H]1c2c(c4c([nH]2)cc([nH]c4=O)C)C[C@H]3C1)C
• 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: 12.507 ± 0.003 Å
• b: 16.748 ± 0.003 Å
• c: 13.978 ± 0.003 Å
• α: 90°
• β: 108.99 ± 0.03°
• γ: 90°
• Cell volume: 2768.7 ± 1 ų
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No