Information card for entry 7222258

Structure parameters

• Common name: 2n
• Formula: C18 H15 Br O2
• Calculated formula: C18 H15 Br O2
• SMILES: Brc1cc(C(c2c3ccccc3ccc2O)OC)ccc1
• Title of publication: A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C‒S bond cleavage of naphthalene-2-ol sulfides
• Authors of publication: Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 97
• Pages of publication: 79759
• a: 13.1085 ± 0.0006 Å
• b: 7.3865 ± 0.0004 Å
• c: 16.4008 ± 0.0007 Å
• α: 90°
• β: 107.548 ± 0.003°
• γ: 90°
• Cell volume: 1514.12 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1849
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No