Information card for entry 2022808

Structure parameters

• Chemical name: Naphthalene-2,3-diyl bis(3-benzyloxy)benzoate
• Formula: C38 H28 O6
• Calculated formula: C38 H28 O6
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)benzoate
• Authors of publication: Anil Kumar, H.; Selvanandan, S.; Srinivasa, H. T.; Venkateshappa, G.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 9.5219 ± 0.0002 Å
• b: 10.101 ± 0.0002 Å
• c: 30.705 ± 0.0008 Å
• α: 90°
• β: 96.666 ± 0.001°
• γ: 90°
• Cell volume: 2933.26 ± 0.11 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 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 all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes