Information card for entry 7151658

Structure parameters

• Formula: C24 H29 N O4
• Calculated formula: C24 H29 N O4
• SMILES: O=C(O)c1cc2C(CC3(c2cc1OC)CC(c1cc(N)c(OC)cc31)(C)C)(C)C
• Title of publication: Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.
• Authors of publication: Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 367 - 369
• a: 10.881 ± 0.007 Å
• b: 17.932 ± 0.011 Å
• c: 11.015 ± 0.007 Å
• α: 90°
• β: 104.754 ± 0.01°
• γ: 90°
• Cell volume: 2078 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No