Information card for entry 1559411

Structure parameters

• Formula: C32 H26 N4 O5.5
• Calculated formula: C32 H26 N4 O5.5
• Title of publication: Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
• Authors of publication: Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
• Journal of publication: Journal of Medicinal Chemistry
• Year of publication: 2020
• a: 10.6126 ± 0.0003 Å
• b: 11.4102 ± 0.0004 Å
• c: 13.3071 ± 0.0005 Å
• α: 95.819 ± 0.003°
• β: 112.387 ± 0.003°
• γ: 111.273 ± 0.003°
• Cell volume: 1333.67 ± 0.1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No