Information card for entry 2202134

Structure parameters

• Formula: C14 H28 Br2
• Calculated formula: C14 H28 Br2
• SMILES: BrCCCCCCCCCCCCCCBr
• Title of publication: 1,14-Dibromotetradecane
• Authors of publication: Kenjiro Uno; Naotake Nakamura
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o708 - o710
• a: 5.486 ± 0.006 Å
• b: 5.389 ± 0.007 Å
• c: 27.827 ± 0.004 Å
• α: 90°
• β: 93.38 ± 0.04°
• γ: 90°
• Cell volume: 821.2 ± 1.4 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes