Information card for entry 7227323

Structure parameters

• Formula: C19 H15 N O7
• Calculated formula: C19 H15 N O7
• SMILES: O=N(=O)c1c(cccc1)[C@@H]1OO[C@]2(O)[C@](C1)(C(=O)c1c(C2=O)cccc1)C.O=N(=O)c1c(cccc1)[C@H]1OO[C@@]2(O)[C@@](C1)(C(=O)c1ccccc1C2=O)C
• Title of publication: Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone
• Authors of publication: Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 106
• a: 11.7759 ± 0.0004 Å
• b: 12.0137 ± 0.0004 Å
• c: 13.2565 ± 0.0005 Å
• α: 105.781 ± 0.003°
• β: 107.535 ± 0.003°
• γ: 92.139 ± 0.003°
• Cell volume: 1706.28 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1118
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No