Information card for entry 4036292

Structure parameters

• Common name: 4d in manuscript
• Formula: C36.5 H43.5 Cl1.5 N O9
• Calculated formula: C36.5 H43.5 Cl1.5 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: 9.7517 ± 0.0011 Å
• b: 22.499 ± 0.003 Å
• c: 32.974 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7234.6 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No