Information card for entry 4020822

Structure parameters

• Formula: C39 H33 N7 O7
• Calculated formula: C39 H33 N7 O7
• SMILES: n1c(NC(=O)C)cc(cc1NC(=O)C)C#Cc1cccc2C(=O)c3cccc(c3C(=O)c12)C#Cc1cc(nc(NC(=O)C)c1)NC(=O)C.O=CN(C)C
• Title of publication: Toward an Artificial Oxidative DNA Photolyase
• Authors of publication: Mickaël Pauvert; Patrick Laine; Marco Jonas; Olaf Wiest
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 543 - 548
• a: 11.3287 ± 0.0004 Å
• b: 21.4409 ± 0.0008 Å
• c: 14.6543 ± 0.0006 Å
• α: 90°
• β: 102.941 ± 0.001°
• γ: 90°
• Cell volume: 3469.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No