Information card for entry 1554943

Structure parameters

• Common name: ORGANIC
• Formula: C20 H22 N2 O4
• Calculated formula: C20 H22 N2 O4
• SMILES: O=C1N(C(=O)CC1c1cccc2c1C(=O)C=C(NCCCC)C2=O)CC
• Title of publication: Regioselective C‒H alkylation and alkenylation at the C5 position of 2-amino-1,4-naphthoquinones with maleimides under Rh(iii) catalysis
• Authors of publication: Yakkala, Prasanna Anjaneyulu; Giri, Deepesh; Chaudhary, Bharatkumar; Auti, Prashant; Sharma, Satyasheel
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2441
• a: 10.5905 ± 0.0002 Å
• b: 16.0282 ± 0.0004 Å
• c: 11.3851 ± 0.0003 Å
• α: 90°
• β: 116.637 ± 0.001°
• γ: 90°
• Cell volume: 1727.47 ± 0.07 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No