Information card for entry 7051109

Structure parameters

• Formula: C66 H44 N7 Na O14
• Calculated formula: C48 H29 N4 Na O8
• SMILES: [nH]1c2=C(c3nc(=C(c4[nH]c(C(=c5nc(C(=c1cc2)c1ccc(cc1)C(=O)O)cc5)c1ccc(cc1)C(=O)[O-])cc4)c1ccc(cc1)C(=O)O)cc3)c1ccc(cc1)C(=O)O.[Na+]
• Authors of publication: Diskin-Posner, Yael; Goldberg, I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 899 - 904
• a: 17.626 ± 0.0006 Å
• b: 18.719 ± 0.0005 Å
• c: 19.882 ± 0.0005 Å
• α: 115.972 ± 0.0015°
• β: 94.19 ± 0.0017°
• γ: 104.525 ± 0.0016°
• Cell volume: 5581.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No