Information card for entry 4115234

Structure parameters

• Chemical name: α-1-ammmonium-2(3-indolyl)-cyclohexanecarboxylate monohydrate
• Formula: C15 H20 N2 O3
• Calculated formula: C15 H20 N2 O3
• Title of publication: Fluorescence ofcis-1-Amino-2-(3-indolyl)cyclohexane-1-carboxylic Acid: A Single Tryptophan χ1Rotamer Model
• Authors of publication: Bo Liu; Reema K. Thalji; Paul D. Adams; Frank R. Fronczek; Mark L. McLaughlin; Mary D. Barkley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13329 - 13338
• a: 10.1293 ± 0.0006 Å
• b: 10.428 ± 0.001 Å
• c: 13.195 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1393.77 ± 0.19 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 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: 0.032
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections: 1.639
• Goodness-of-fit parameter for significantly intense reflections: 1.636
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No