Information card for entry 7200752

Structure parameters

• Formula: C21 H21 Cl2 N O6
• Calculated formula: C21 H21 Cl2 N O6
• SMILES: ClCCl.O(c1ccc(cc1OC)c1[nH]c2c(c1C(=O)OC)cc(cc2)C(=O)OC)C
• Title of publication: Fine tuning of blue photoluminescence from indoles for device fabrication
• Authors of publication: Hwu, Jih Ru; Hsu, Yung Chang; Josephrajan, Thainashmuthu; Tsay, Shwu-Chen
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 3084
• a: 12.3962 ± 0.0019 Å
• b: 14.12 ± 0.002 Å
• c: 13.92 ± 0.002 Å
• α: 90°
• β: 114.759 ± 0.004°
• γ: 90°
• Cell volume: 2212.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No