Information card for entry 1520655

Structure parameters

• Formula: C32 H38 O5 Si2
• Calculated formula: C32 H38 O5 Si2
• SMILES: [Si](OC1=C([C@H](Oc2c1cccc2)CC(=O)c1ccccc1)[C@@H](O[Si](C)(C)C)CC(=O)c1ccccc1)(C)(C)C.[Si](OC1=C([C@@H](Oc2c1cccc2)CC(=O)c1ccccc1)[C@H](O[Si](C)(C)C)CC(=O)c1ccccc1)(C)(C)C
• Title of publication: The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.
• Authors of publication: Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3256 - 3259
• a: 9.2692 ± 0.0007 Å
• b: 9.7098 ± 0.0007 Å
• c: 34.752 ± 0.003 Å
• α: 90°
• β: 92.266 ± 0.001°
• γ: 90°
• Cell volume: 3125.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0631
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No