Information card for entry 4023994

Structure parameters

• Formula: C37 H50 N14 O13
• Calculated formula: C37 H50 N14 O13
• Title of publication: Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions
• Authors of publication: Zhidong Ma; Cynthia S. Day; Ulrich Bierbach
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5387 - 5390
• a: 8.1233 ± 0.0017 Å
• b: 16.267 ± 0.004 Å
• c: 17.002 ± 0.004 Å
• α: 109.081 ± 0.004°
• β: 100.725 ± 0.004°
• γ: 94.547 ± 0.004°
• Cell volume: 2062.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No