Information card for entry 4505151

Structure parameters

• Chemical name: 4-(adamantyl-1-yl-acetyl)-N-(1,2-dimethylpropyl) benzamide
• Formula: C24 H33 N O2
• Calculated formula: C24 H33 N O2
• SMILES: O=C(CC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)C(=O)N[C@H](C)C(C)C
• 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: 19.561 ± 0.005 Å
• b: 10.652 ± 0.003 Å
• c: 9.899 ± 0.003 Å
• α: 90°
• β: 99.531 ± 0.005°
• γ: 90°
• Cell volume: 2034.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2401
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No