Information card for entry 4505153

Structure parameters

• Chemical name: 4-(2-adamantan-1-ylacetyl)benzoic acid 2-bromo-1-methylethyl ester
• Formula: C23 H29 Br O3
• Calculated formula: C23 H27 Br0.99 O3
• Title of publication: Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored
• Authors of publication: Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2348
• a: 11.007 ± 0.003 Å
• b: 6.528 ± 0.002 Å
• c: 27.722 ± 0.007 Å
• α: 90°
• β: 90.435 ± 0.004°
• γ: 90°
• Cell volume: 1991.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.1383
• Weighted residual factors for significantly intense reflections: 0.2894
• Weighted residual factors for all reflections included in the refinement: 0.3081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No