Information card for entry 7158762

Structure parameters

• Formula: C19 H24 O4
• Calculated formula: C19 H24 O4
• SMILES: O(C(=O)[C@H]1[C@@H](c2c(OC1=O)cccc2)C1CCCCC1)C(C)C.O(C(=O)[C@@H]1[C@H](c2c(OC1=O)cccc2)C1CCCCC1)C(C)C
• Title of publication: Redox activated amines in the organophotoinduced alkylation of coumarins.
• Authors of publication: Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 5716 - 5720
• a: 9.232 ± 0.0012 Å
• b: 9.6032 ± 0.0013 Å
• c: 10.3394 ± 0.0014 Å
• α: 75.363 ± 0.004°
• β: 80.372 ± 0.004°
• γ: 79.124 ± 0.004°
• Cell volume: 864.1 ± 0.2 ų
• Cell temperature: 308 ± 2 K
• Ambient diffraction temperature: 308 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No