Information card for entry 7003720

Structure parameters

• Chemical name: 6,7,17,18-dibenzo-1,12-dioxa-4,9,15,20-tetraselenacyclodocosa-6,17-diene
• Formula: C24 H32 O2 Se4
• Calculated formula: C24 H32 O2 Se4
• SMILES: C1COCC[Se]Cc2c(cccc2)C[Se]CCOCC[Se]Cc2c(cccc2)C[Se]1
• Title of publication: Selenoether macrocyclic chemistry—syntheses and properties of new potentially tridentate and hexadentate Se/O-donor macrocycles
• Authors of publication: Levason, William; Manning, Joanna M.; Nirwan, Manisha; Ratnani, Raju; Reid, Gillian; Smith, Hayley L.; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3486 - 3492
• a: 9.075 ± 0.003 Å
• b: 4.8236 ± 0.0012 Å
• c: 28.058 ± 0.007 Å
• α: 90°
• β: 95.316 ± 0.016°
• γ: 90°
• Cell volume: 1222.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1077
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No