Information card for entry 2007822

Structure parameters

• Common name: bis-1,2-(o-aminophenoxy)benzene
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: O(c1c(Oc2c(N)cccc2)cccc1)c1c(N)cccc1
• Title of publication: Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers
• Authors of publication: Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1662 - 1666
• a: 10.9111 ± 0.0007 Å
• b: 18.0088 ± 0.0009 Å
• c: 7.583 ± 0.0006 Å
• α: 90°
• β: 93.362 ± 0.008°
• γ: 90°
• Cell volume: 1487.46 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.057
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes