Information card for entry 7154304

Structure parameters

• Formula: C66 H70 N2 O4 S4
• Calculated formula: C66 H70 N2 O4 S4
• Title of publication: The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.
• Authors of publication: Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3476 - 3483
• a: 15.1668 ± 0.0006 Å
• b: 14.7772 ± 0.0007 Å
• c: 12.7612 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2860.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No