Information card for entry 1556960

Structure parameters

• Formula: C20 H16 N2 O3
• Calculated formula: C20 N2 O3
• SMILES: OC(=O)C[C@H]1[C@H]2N(c3ccccc13)C(=O)Cc1c2[nH]c2ccccc12.OC(=O)C[C@@H]1[C@@H]2N(c3ccccc13)C(=O)Cc1c2[nH]c2ccccc12
• Title of publication: Stereochemistry of Dimerisation of Indole-3-acetic Acid and its Propyl Ester
• Authors of publication: Fatum, Tine M.; Anthoni, Uffe; Christophersen, Carsten; Nielsen, Per Halfdan
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 784 - 789
• a: 11.2 ± 0.003 Å
• b: 10.0306 ± 0.0012 Å
• c: 15.005 ± 0.003 Å
• α: 90°
• β: 111.72 ± 0.02°
• γ: 90°
• Cell volume: 1566 ± 0.6 ų
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0369
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No