Information card for entry 1555129

Structure parameters

• Formula: C7.5 H15 O2
• Calculated formula: C7.5 H15 O2
• Title of publication: Nitrogenous cyclonerane sesquiterpenes from an algicolous strain of Trichoderma asperellum
• Authors of publication: Song, Yin-Ping; Miao, Feng-Ping; Yin, Xiu-Li; Ji, Nai-Yun
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3698
• a: 7.0302 ± 0.0007 Å
• b: 7.6119 ± 0.0008 Å
• c: 7.7844 ± 0.0009 Å
• α: 94.191 ± 0.009°
• β: 109.731 ± 0.01°
• γ: 97.56 ± 0.009°
• Cell volume: 385.61 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No