Information card for entry 2205152

Structure parameters

• Chemical name: (1R,2R)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-9-carboxylate
• Formula: C14 H14 N4 O3
• Calculated formula: C14 H14 N4 O3
• SMILES: [C@@H]1([C@@H](Cn2c3ccccc3c(c12)C(=O)OCC)O)N=N#N
• Title of publication: (1<i>R</i>,2<i>R</i>)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carboxylate
• Authors of publication: Fernandes, Manuel A.; Koning, Charles B. de; Michael, Joseph P.; Petersen, Riaan L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o269 - o271
• a: 5.8464 ± 0.0009 Å
• b: 8.8422 ± 0.0014 Å
• c: 26.927 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes