Information card for entry 7159439

Structure parameters

• Formula: C23 H15 N O
• Calculated formula: C23 H15 N O
• SMILES: n1c(c2oc3ccccc3c2cc1c1ccccc1)c1ccccc1
• Title of publication: A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.
• Authors of publication: Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 27
• Pages of publication: 5542 - 5546
• a: 22.3743 ± 0.0007 Å
• b: 5.3342 ± 0.0002 Å
• c: 13.0665 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1559.47 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No