Information card for entry 7152831

Structure parameters

• Common name: 2004uv01cj01
• Formula: C15 H16 O4
• Calculated formula: C15 H16 O4
• SMILES: Oc1c(ccc(c1)C(C)C(=O)O)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: 14.298 ± 0.001 Å
• b: 5.6536 ± 0.0005 Å
• c: 17.4704 ± 0.0014 Å
• α: 90°
• β: 111.057 ± 0.004°
• γ: 90°
• Cell volume: 1317.92 ± 0.19 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No