Information card for entry 4100412

Structure parameters

• Formula: C21 H33 N3 Na3 O24 Y
• Calculated formula: C21 H17 N3 Na3 O24 Y
• SMILES: [Y]123456([n]7c(cccc7C(=O)O1)C(=O)O2)([n]1c(cccc1C(=O)O3)C(=O)O4)[n]1c(cccc1C(=O)O6)C(=O)O5.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.6914 ± 0.0004 Å
• b: 19.1705 ± 0.0008 Å
• c: 18.0663 ± 0.0007 Å
• α: 90°
• β: 91.671 ± 0.003°
• γ: 90°
• Cell volume: 3355.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No