Information card for entry 7052592

Structure parameters

• Formula: C30 H40 Cl2 Na2 O18
• Calculated formula: C30 H40 Cl2 Na2 O18
• SMILES: [Na]12345(OCl(=[O]1)(=O)=O)[O]1CC[O]3CC[O]4CC[O]5CC[O]2c2ccc(cc12)/C=C/c1ccc2[O]3[Na]4567(OCl(=[O]4)(=O)=O)[O](CC3)CC[O]6CC[O]7CC[O]5c2c1
• Title of publication: Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition
• Authors of publication: Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 724
• a: 26.083 ± 0.002 Å
• b: 9.2443 ± 0.0009 Å
• c: 15.815 ± 0.0013 Å
• α: 90°
• β: 96.659 ± 0.005°
• γ: 90°
• Cell volume: 3787.6 ± 0.6 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.4133
• Residual factor for significantly intense reflections: 0.2426
• Weighted residual factors for significantly intense reflections: 0.3541
• Weighted residual factors for all reflections included in the refinement: 0.4098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No