Information card for entry 7150724

Structure parameters

• Formula: C26 H24 N4 O3
• Calculated formula: C26 H24 N4 O3
• SMILES: N1(C=N[C@@]2(C1=O)[C@H]([C@H]1C(=O)OC[C@H]1C2)c1ncn(c1)Cc1ccccc1)Cc1ccccc1.N1(C=N[C@]2(C1=O)[C@@H]([C@@H]1C(=O)OC[C@@H]1C2)c1ncn(c1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Studies toward the total synthesis of the oroidin dimers
• Authors of publication: Sivappa, Rasapalli; Mukherjee, Sabuj; Dias, H. V. Rasika; Lovely, Carl J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3215 - 3218
• a: 11.5704 ± 0.0008 Å
• b: 14.5997 ± 0.001 Å
• c: 12.5793 ± 0.0009 Å
• α: 90°
• β: 95.664 ± 0.001°
• γ: 90°
• Cell volume: 2114.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No