Information card for entry 4505146

Structure parameters

• Chemical name: (R)-N-(1-cyclohexylethyl)-4-(1,2,3,4-tetrahydro-1,4- methanonaphthalene-9-carbonyl)benzamide
• Formula: C27 H31 N O2
• Calculated formula: C27 H31 N O2
• SMILES: O=C(C1[C@@H]2c3c(cccc3)[C@H]1CC2)c1ccc(cc1)C(=O)N[C@H](C)C1CCCCC1
• 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: 5.419 ± 0.001 Å
• b: 10.052 ± 0.002 Å
• c: 39.197 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2135.1 ± 0.7 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: 0.124
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No