Information card for entry 1505498

Structure parameters

• Formula: C177.9 H200.9 O12
• Calculated formula: C177.9 H200.9 O12
• Title of publication: Synthesis of a triply-bridged molecular gyroscope by a directed meridional cyclization strategy.
• Authors of publication: Nuñez, Jose E; Natarajan, Arunkumar; Khan, Saeed I.; Garcia-Garibay, Miguel A
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 3559 - 3561
• a: 11.6972 ± 0.0016 Å
• b: 18.122 ± 0.003 Å
• c: 18.781 ± 0.003 Å
• α: 111.384 ± 0.002°
• β: 96.243 ± 0.001°
• γ: 90.948 ± 0.001°
• Cell volume: 3678.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.055
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No