Information card for entry 7100798

Structure parameters

• Formula: C36 H32 N2 O5
• Calculated formula: C36 H32 N2 O5
• SMILES: c1(c(ccc2ccccc12)C(=O)[O-])c1c(ccc2ccccc12)C(=O)[O-].c1(ccccc1)[C@@H]([NH3+])[C@@H](c1ccccc1)[NH3+].O
• Title of publication: Successive optical resolution of two compounds by one enantiopure compound
• Authors of publication: Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 11.0468 ± 0.0008 Å
• b: 27.344 ± 0.002 Å
• c: 9.9797 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3014.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No