Information card for entry 2011185

Structure parameters

• Common name: 7-aza-IAA
• Chemical name: 7-azaindole-3-acetic acid
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: c12cccnc1[nH]cc2CC(=O)O
• Title of publication: 1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridine-3-acetic acid as a molecular probe for use in auxin physiology
• Authors of publication: Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1026 - 1027
• a: 14.9965 ± 0.0007 Å
• b: 4.217 ± 0.0003 Å
• c: 26.022 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1645.64 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes