Information card for entry 7100889

Structure parameters

• Formula: C24 H40 B Ca I N6 O3
• Calculated formula: C24 H40 B Ca I N6 O3
• SMILES: [BH](n1ccc(C(C)(C)C[O]([Ca]23456)C)[n]12)(n1ccc(C(C)(C)C[O]3C)[n]14)n1ccc(C(C)(C)C[O]5C)[n]16.[I-]
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 15.072 ± 0.002 Å
• b: 15.072 ± 0.002 Å
• c: 15.072 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3423.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No