Information card for entry 7210949

Structure parameters

• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: c1cccc2[C@H]3[C@@H]4[C@H]([C@H](C#N)O3)C[C@@H]3[C@@H](C#N)O[C@H](c12)[C@H]43
• Title of publication: Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives
• Authors of publication: Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9623
• a: 9.357 ± 0.0006 Å
• b: 9.7318 ± 0.001 Å
• c: 9.7501 ± 0.0005 Å
• α: 103.814 ± 0.004°
• β: 117.36 ± 0.003°
• γ: 104.07 ± 0.004°
• Cell volume: 698.71 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1274
• 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: No