Information card for entry 2007279

Structure parameters

• Chemical name: 2,2,7,7-Bis(pentamethylene)-dibenzo[c;e]-dihydro-oxepin
• Formula: C24 H28 O
• Calculated formula: C24 H28 O
• SMILES: c12c(cccc1)C1(OC3(c4c2cccc4)CCCCC3)CCCCC1
• Title of publication: Structural Investigation of Biphenyl Derivatives
• Authors of publication: Nieger, Martin; Hupfer, Heike; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 656 - 659
• a: 10.062 ± 0.001 Å
• b: 16.307 ± 0.001 Å
• c: 11.398 ± 0.002 Å
• α: 90°
• β: 97.83 ± 0.01°
• γ: 90°
• Cell volume: 1852.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No