Information card for entry 7051110

Structure parameters

• Formula: C72 H49 N8 Na O16
• Calculated formula: C54 H34 N5 Na O10
• SMILES: N1=C2C(=c3[nH]c(=C(C4=NC(=C(c5[nH]c(C(=C1C=C2)c1ccc(cc1)C(=O)O)cc5)c1ccc(cc1)C(=O)[O-])C=C4)c1ccc(cc1)C(=O)O)cc3)c1ccc(cc1)C(=O)O.[Na+].O=N(=O)c1ccccc1
• Authors of publication: Diskin-Posner, Yael; Goldberg, I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 19.271 ± 0.0005 Å
• b: 26.212 ± 0.0009 Å
• c: 24.016 ± 0.0007 Å
• α: 90°
• β: 92.218 ± 0.0018°
• γ: 90°
• Cell volume: 12122.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No