Information card for entry 7156684

Structure parameters

• Formula: C26 H26 O5
• Calculated formula: C26 H26 O5
• Title of publication: Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
• Authors of publication: Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2670 - 2683
• a: 9.3173 ± 0.0007 Å
• b: 10.8597 ± 0.0009 Å
• c: 22.3122 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2257.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0772
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No