Information card for entry 4300691

Structure parameters

• Common name: boracalix[3]arene_1c
• Formula: C44 H42 B3 Cl4 N3 O10
• Calculated formula: C44 H42 B3 Cl4 N3 O10
• Authors of publication: Victor Barba
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 17.4628 ± 0.0018 Å
• b: 16.8118 ± 0.0017 Å
• c: 17.5255 ± 0.0017 Å
• α: 90°
• β: 117.275 ± 0.002°
• γ: 90°
• Cell volume: 4573.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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