Information card for entry 7001414

Structure parameters

• Chemical name: 11,12-benzo-1,5,9-triselenacyclotridec-11-ene
• Formula: C14 H20 Se3
• Calculated formula: C14 H20 Se3
• SMILES: [Se]1Cc2ccccc2C[Se]CCC[Se]CCC1
• Title of publication: Selenoether macrocyclic chemistry‒syntheses and ligand properties of new small-ring Se3- and Se2N-donor macrocycles
• Authors of publication: Levason, William; Manning, Joanna M.; Reid, Gillian; Tuggey, Matthew; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4569 - 4577
• a: 5.282 ± 0.0015 Å
• b: 15.978 ± 0.004 Å
• c: 17.597 ± 0.005 Å
• α: 90°
• β: 90.13 ± 0.02°
• γ: 90°
• Cell volume: 1485.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No