Information card for entry 7234995

Structure parameters

• Formula: C22 H26 K N O3
• Calculated formula: C22 H26 K N O3
• Title of publication: The structural diversity of heterocycle-fused potassium cyclopentadienides
• Authors of publication: Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 50
• Pages of publication: 29195
• a: 10.9961 ± 0.0006 Å
• b: 17.9129 ± 0.001 Å
• c: 10.9897 ± 0.0006 Å
• α: 90°
• β: 111.963 ± 0.0012°
• γ: 90°
• Cell volume: 2007.57 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0938
• 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: No
• Has Fobs: No