Information card for entry 7121968

Structure parameters

• Common name: X62
• Chemical name: N2',N2',N5,N5,N7',N7',N9,N9-octakis(4-methoxyphenyl)spiro[dibenzo[c,h]xanthene-7,9'-fluorene]-2',5,7',9-tetraamine
• Formula: C64.33 H58 N2.67 O7.67
• Calculated formula: C64.3333 H58 N2.66667 O7.66667
• Title of publication: Design and synthesis of dopant-free organic hole-transport materials for perovskite solar cells.
• Authors of publication: Wang, Linqin; Zhang, Jinbao; Liu, Peng; Xu, Bo; Zhang, Biaobiao; Chen, Hong; Inge, A. Ken; Li, Yuanyuan; Wang, Haoxin; Cheng, Yi-Bing; Kloo, Lars; Sun, Licheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 69
• Pages of publication: 9571 - 9574
• a: 21.31 ± 0.004 Å
• b: 22.284 ± 0.005 Å
• c: 16.397 ± 0.003 Å
• α: 90°
• β: 95.97 ± 0.03°
• γ: 90°
• Cell volume: 7744 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No