Information card for entry 1503943

Structure parameters

• Chemical name: N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide
• Formula: C10 H15 N5 O3
• Calculated formula: C10 H15 N5 O3
• SMILES: O=C(NCCCC(=N\O)/C(N)=N/O)c1[nH]ccc1
• Title of publication: Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.
• Authors of publication: Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2523 - 2526
• a: 6.936 ± 0.002 Å
• b: 17.283 ± 0.004 Å
• c: 20.657 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No