Information card for entry 4026860

Structure parameters

• Formula: C27 H22 O2
• Calculated formula: C27 H22 O2
• Title of publication: Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps
• Authors of publication: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 482 - 489
• a: 9.4735 ± 0.0017 Å
• b: 19.451 ± 0.003 Å
• c: 11.74 ± 0.002 Å
• α: 90°
• β: 104.73 ± 0.02°
• γ: 90°
• Cell volume: 2092.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.1328
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No