Information card for entry 7239267

Structure parameters

• Common name: Kemp-benzidine
• Formula: C20 H26 N O5 S
• Calculated formula: C20 H26 N O5 S
• Title of publication: The exploration of Kemp's triacid (KTA) as the core for the synthesis of 3-fold symmetric 23-cyclophane, 22-cyclophane and novel linker directed designs
• Authors of publication: Naini, Santhosh Reddy; Ranganathan, Subramania; Yadav, Jhillu Singh; Ramakrishna, K. V. S.; Gayatri, G.; Sastry, G. Narahari; Roy, K. Basu; Shamala, N.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 5322
• a: 7.5846 ± 0.0015 Å
• b: 18.384 ± 0.003 Å
• c: 14.401 ± 0.003 Å
• α: 90°
• β: 102.535 ± 0.008°
• γ: 90°
• Cell volume: 1960.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No