Information card for entry 1542570

Structure parameters

• Chemical name: (R)-7-chloro-1-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a] quinoline-4-carbaldehyde
• Formula: C13 H10 Cl N O2
• Calculated formula: C13 H10 Cl N O2
• SMILES: Clc1cc2C=C(C=O)[C@@H]3N(c2cc1)C(=O)CC3
• Title of publication: Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines.
• Authors of publication: Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1270 - 1273
• a: 7.02512 ± 0.00015 Å
• b: 8.17982 ± 0.00017 Å
• c: 10.0807 ± 0.0002 Å
• α: 104.135 ± 0.0018°
• β: 104.019 ± 0.0018°
• γ: 91.6954 ± 0.0018°
• Cell volume: 542.58 ± 0.02 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No