Information card for entry 7152203

Structure parameters

• Formula: C34 H25 F3 N2 O5 S
• Calculated formula: C34 H25 F3 N2 O5 S
• Title of publication: The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.
• Authors of publication: Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 512 - 515
• a: 8.31659 ± 0.00011 Å
• b: 20.0565 ± 0.0002 Å
• c: 17.4123 ± 0.0002 Å
• α: 90°
• β: 95.0536 ± 0.0012°
• γ: 90°
• Cell volume: 2893.11 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No