Information card for entry 4100802

Structure parameters

• Formula: C20 H22 Br2 N4 O4
• Calculated formula: C20 H22 Br2 N4 O4
• SMILES: Brc1cc([nH]c1)C(=O)NC[C@H]1[C@@H]([C@H]([C@@H]1CNC(=O)c1[nH]cc(Br)c1)C(=O)C)C(=O)C.Brc1cc([nH]c1)C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]1CNC(=O)c1[nH]cc(Br)c1)C(=O)C)C(=O)C
• Title of publication: Short Total Synthesis of (\±)-Sceptrin
• Authors of publication: Phil S. Baran; Alexandros L. Zografos; Daniel P. O'Malley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3726 - 3727
• a: 10.425 ± 0.002 Å
• b: 10.502 ± 0.002 Å
• c: 10.984 ± 0.002 Å
• α: 76.11 ± 0.03°
• β: 83.4 ± 0.03°
• γ: 66.3 ± 0.03°
• Cell volume: 1068.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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