Information card for entry 7152833

Structure parameters

• Common name: S-FBPOH/R-Trp
• Formula: C27 H26 N2 O4
• Calculated formula: C27 H26 N2 O4
• SMILES: c1(c(ccc(c1)[C@@H](C(=O)N[C@@H](C(=O)OC)Cc1c[nH]c2ccccc12)C)c1ccccc1)O
• Title of publication: Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.
• Authors of publication: Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 1958 - 1963
• a: 10.6549 ± 0.0004 Å
• b: 12.0512 ± 0.0005 Å
• c: 17.2822 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219.11 ± 0.14 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: 0.0613
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No