Information card for entry 1507643

Structure parameters

• Formula: C12 H15 Cl N4 O7
• Calculated formula: C12 H15 Cl N4 O7
• SMILES: ClC1=C(N)c2nc(cc(c2C(=O)C1=O)C(=O)NC)C(=O)N.O.O.O
• Title of publication: Ammosamide D, an Oxidatively Ring Opened Ammosamide Analog from a Marine-Derived Streptomyces variabilis.
• Authors of publication: Pan, Ende; Jamison, Matthew; Yousufuddin, Muhammed; Macmillan, John B.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2390 - 2393
• a: 7.4256 ± 0.001 Å
• b: 9.7072 ± 0.0013 Å
• c: 10.579 ± 0.0014 Å
• α: 92.607 ± 0.001°
• β: 94.56 ± 0.002°
• γ: 94.16 ± 0.001°
• Cell volume: 757.13 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No