Information card for entry 7159100

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O(c1ccc(cc1)Cc1c(O)ccc2c1cccc2)C
• Title of publication: Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.
• Authors of publication: Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1657 - 1661
• a: 5.695 ± 0.003 Å
• b: 15.637 ± 0.008 Å
• c: 15.874 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1413.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2664
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No