Information card for entry 4505148

Structure parameters

• Formula: C29 H29 N O3
• Calculated formula: C29 H29 N O3
• SMILES: O=C(C1[C@H]2c3c(cccc3)[C@@H]1CC2)c1ccc(cc1)C(=O)N(C)[C@H](C)[C@H](O)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: 13.703 ± 0.003 Å
• b: 6.6574 ± 0.0014 Å
• c: 25.878 ± 0.005 Å
• α: 90°
• β: 93.116 ± 0.004°
• γ: 90°
• Cell volume: 2357.3 ± 0.8 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: 0.1607
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No