Information card for entry 7233991

Structure parameters

• Formula: C18 H20 Cl N3 O0
• Calculated formula: C18 H20 Cl N3
• Title of publication: Novel camphor-based pyrimidine derivatives induced cancer cell death through a ROS-mediated mitochondrial apoptosis pathway
• Authors of publication: Zhang, Yan; Wang, Yunyun; Zhao, Yuxun; Gu, Wen; Zhu, Yongqiang; Wang, Shifa
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 51
• Pages of publication: 29711
• a: 6.9895 ± 0.0002 Å
• b: 8.6676 ± 0.0003 Å
• c: 13.6291 ± 0.0005 Å
• α: 76.606 ± 0.002°
• β: 81.336 ± 0.002°
• γ: 79.948 ± 0.002°
• Cell volume: 785.64 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No