Information card for entry 7100020

Structure parameters

• Common name: in paper 3d
• Formula: C53 H64 Cl4 N10 O3
• Calculated formula: C53 H64 Cl4 N10 O3
• SMILES: N12Cc3cc(Cn4c5[C@@H](NC(=O)c6nc([C@@H](NC(=O)c7nc([C@@H](NC(=O)c(n5)c4C)C(C)C)n(c7C)Cc4cc(ccc4)C1)C(C)C)n(c6C)Cc1cc(ccc1)C2)C(C)C)ccc3.C(Cl)Cl.C(Cl)Cl
• Title of publication: A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems
• Authors of publication: Gebhard Haberhauer; Thomas Oeser; Frank Rominger
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 13.0619 ± 0.0002 Å
• b: 15.4301 ± 0.0003 Å
• c: 13.6751 ± 0.0001 Å
• α: 90°
• β: 92.057 ± 0.001°
• γ: 90°
• Cell volume: 2754.39 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No