Information card for entry 4020399

Structure parameters

• Formula: C59 H75 N3 O4 S5
• Calculated formula: C59 H73 N3 O4 S5
• Authors of publication: Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6254 - 6257
• a: 12.5015 ± 0.0008 Å
• b: 35.409 ± 0.002 Å
• c: 14.2168 ± 0.001 Å
• α: 90°
• β: 110.7 ± 0.008°
• γ: 90°
• Cell volume: 5887.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No