Information card for entry 4100768

Structure parameters

• Formula: C46 H43 N8 O10 P Zn2
• Calculated formula: C46 H41 N7 O7 P Zn2
• SMILES: [Zn]123(OP(=O)(Oc4ccccc4)O[Zn]45[N](Cc6cccc7cc8cccc(C[N]1(Cc1[n]3cccc1)Cc1[n]2cccc1)c8cc67)(Cc1[n]4cccc1)Cc1[n]5cccc1)ON(=O)=O
• Title of publication: Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors
• Authors of publication: Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2454 - 2463
• a: 12.807 ± 0.002 Å
• b: 15.541 ± 0.002 Å
• c: 12.621 ± 0.001 Å
• α: 109.209 ± 0.004°
• β: 109.749 ± 0.005°
• γ: 80.477 ± 0.005°
• Cell volume: 2228.5 ± 0.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• 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