Information card for entry 7223207

Structure parameters

• Formula: C19 H19 N3 O7
• Calculated formula: C19 H19 N3 O7
• SMILES: O1[C@@H]([C@H]2OC(O[C@H]2[C@@H]1OC)(C)C)Cn1nnc2c1C(=O)c1c(c(O)ccc1)C2=O
• Title of publication: Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents
• Authors of publication: Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 116
• Pages of publication: 96222
• a: 5.9539 ± 0.0002 Å
• b: 5.7856 ± 0.0002 Å
• c: 25.961 ± 0.0011 Å
• α: 90°
• β: 91.139 ± 0.004°
• γ: 90°
• Cell volume: 894.1 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No