Information card for entry 7151227

Structure parameters

• Formula: C42.67 H48.67 Cl2.67 N4 O9.67 S2
• Calculated formula: C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2
• Title of publication: Synthesis and crystal structure of [2 + 2] calixsalens.
• Authors of publication: Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3044 - 3047
• a: 27.55 ± 0.02 Å
• b: 10.928 ± 0.008 Å
• c: 23.154 ± 0.009 Å
• α: 90°
• β: 90.42 ± 0.05°
• γ: 90°
• Cell volume: 6971 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No