Information card for entry 4505145

Structure parameters

• Chemical name: (S)-N-(1-hydroxymethyl-2-methylpropyl)-4-(1,2,3,4- tetrahydro-1,4-methanonaphthalene-9-carbonyl)-benzamide
• Formula: C24 H27 N O3
• Calculated formula: C24 H27 N O3
• SMILES: O=C(C1[C@@H]2c3c(cccc3)[C@H]1CC2)c1ccc(cc1)C(=O)N[C@H](CO)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: 6.436 ± 0.002 Å
• b: 15.863 ± 0.005 Å
• c: 20.213 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2063.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1944
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No