Information card for entry 1503162

Structure parameters

• Formula: C124 H106 N8 O9
• Calculated formula: C124 H106 N8 O9
• SMILES: O=C1[C@]2(O)N(C[C@@H]3N([C@H]23)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c1cccc2.O(CC)CC
• Title of publication: Aziridinomitosanes via lactam cyclization.
• Authors of publication: Wiedner, Susan D.; Vedejs, Edwin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4030 - 4033
• a: 20.312 ± 0.0009 Å
• b: 9.5308 ± 0.0004 Å
• c: 26.2849 ± 0.0012 Å
• α: 90°
• β: 107.355 ± 0.001°
• γ: 90°
• Cell volume: 4856.8 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No