Information card for entry 8102004

Structure parameters

• Chemical name: 2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde
• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• Title of publication: Crystal structure of 2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde, C~20~H~14~O~4~
• Authors of publication: Werz, D. B.; Balalaie, S.; Rominger, F.; Oloumi, Z.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 339 - 340
• a: 12.5632 ± 0.0006 Å
• b: 4.3769 ± 0.0002 Å
• c: 14.8059 ± 0.0008 Å
• α: 90°
• β: 104.213 ± 0.002°
• γ: 90°
• Cell volume: 789.22 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No