Information card for entry 4032286

Structure parameters

• Formula: C23 H19 Cl N2 O
• Calculated formula: C23 H19 Cl N2 O
• SMILES: C1N2[C@@](CN1c1ccccc1)([C@@H]2c1ccc(cc1)Cl)C(=O)c1ccccc1.C1N2[C@](CN1c1ccccc1)([C@H]2c1ccc(cc1)Cl)C(=O)c1ccccc1
• Title of publication: Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.
• Authors of publication: Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 2249 - 2256
• a: 9.7532 ± 0.0003 Å
• b: 15.3749 ± 0.0003 Å
• c: 12.3002 ± 0.0003 Å
• α: 90°
• β: 96.085 ± 0.001°
• γ: 90°
• Cell volume: 1834.08 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No