Information card for entry 2100131

Structure parameters

• Formula: C25 H36 Cl N9 O6
• Calculated formula: C25 H36 Cl N9 O6
• SMILES: Clc1cccc(NC(=O)Nc2nn(c(c3[nH]c4c(N(C(=O)N(C4=O)CCC)CCC)n3)c2)C)c1.O=CN(C)C.O.O
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• Pages of publication: 569 - 576
• a: 10.533 ± 0.0002 Å
• b: 11.1912 ± 0.0002 Å
• c: 14.2829 ± 0.0004 Å
• α: 85.532 ± 0.001°
• β: 81.842 ± 0.0011°
• γ: 63.019 ± 0.0013°
• Cell volume: 1485.02 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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