Information card for entry 2006308

Structure parameters

• Formula: C17 H15 Cl O3
• Calculated formula: C17 H15 Cl O3
• Title of publication: 1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene
• Authors of publication: Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 897 - 899
• a: 8.101 ± 0.002 Å
• b: 10.321 ± 0.002 Å
• c: 11.145 ± 0.002 Å
• α: 65.96 ± 0.03°
• β: 72.4 ± 0.03°
• γ: 65.93 ± 0.03°
• Cell volume: 766.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.1883
• Weighted residual factors for significantly intense reflections: 0.1785
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No