Information card for entry 1556264

Structure parameters

• Formula: C34 H52 B2 O6
• Calculated formula: C34 H52 B2 O6
• SMILES: O1C(C)(C(OB1c1ccc(OCCCCCCCCCCOc2ccc(cc2)B2OC(C)(C(O2)(C)C)C)cc1)(C)C)C
• Title of publication: High molecular weight mechanochromic spiropyran main chain copolymers via reproducible microwave-assisted Suzuki polycondensation
• Authors of publication: Metzler, Lukas; Reichenbach, Thomas; Brügner, Oliver; Komber, Hartmut; Lombeck, Florian; Müllers, Stefan; Hanselmann, Ralf; Hillebrecht, Harald; Walter, Michael; Sommer, Michael
• Journal of publication: Polymer Chemistry
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3694
• a: 9.7994 ± 0.0003 Å
• b: 12.6632 ± 0.0003 Å
• c: 14.5262 ± 0.0004 Å
• α: 96.185 ± 0.001°
• β: 99.296 ± 0.002°
• γ: 109.868 ± 0.001°
• Cell volume: 1647.14 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No