Information card for entry 2010686

Structure parameters

• Common name: tylophorine-B benzene solvate
• Chemical name: 2,3,6 trimethoxy phenanthro [9,10:6',7'] indolizedine
• Formula: C29 H31 N O3
• Calculated formula: C29 H31 N O3
• SMILES: O(c1c(OC)cc2c3c(ccc(OC)c3)c3c(c2c1)C[C@H]1N(CCC1)C3)C.c1ccccc1
• Title of publication: Tylophorine B benzene solvate
• Authors of publication: Wang, Qiguang; Xie, Liang; Zhai, Jianjun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 197 - 198
• a: 5.393 ± 0.001 Å
• b: 9.13 ± 0.002 Å
• c: 11.963 ± 0.002 Å
• α: 92.67 ± 0.03°
• β: 95.02 ± 0.03°
• γ: 100.45 ± 0.03°
• Cell volume: 575.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No