Information card for entry 7151241

Structure parameters

• Formula: C14 H19 N3 O7
• Calculated formula: C14 H19 N3 O7
• SMILES: N(=O)(=O)/C(=C/c1occc1)N(NC(=O)OC(C)C)C(=O)OC(C)C
• Title of publication: Highly efficient hydrazination of conjugated nitroalkenes via imidazole or DMAP mediated Morita-Baylis-Hillman reaction.
• Authors of publication: Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 2525 - 2528
• a: 8.6 ± 0.0006 Å
• b: 10.087 ± 0.0012 Å
• c: 10.843 ± 0.0009 Å
• α: 67.342 ± 0.008°
• β: 89.563 ± 0.006°
• γ: 89.466 ± 0.008°
• Cell volume: 867.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No