Information card for entry 4036291

Structure parameters

• Common name: 4b in manuscript
• Formula: C33 H36 Cl3 N O9
• Calculated formula: C33 H36 Cl3 N O9
• Title of publication: An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.
• Authors of publication: Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8881 - 8886
• a: 9.9084 ± 0.0006 Å
• b: 10.3825 ± 0.0007 Å
• c: 17.9777 ± 0.0011 Å
• α: 106.418 ± 0.0016°
• β: 96.8036 ± 0.0016°
• γ: 102.945 ± 0.0016°
• Cell volume: 1695.94 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No