Information card for entry 7121969

Structure parameters

• Common name: X61
• Chemical name: N2',N2',N7',N7'-tetrakis(4-methoxyphenyl)spiro[dibenzo[c,h]xanthene-7,9'-fluorene]-2',7'-diamine
• Formula: C61 H46 N2 O5
• Calculated formula: C61 H46 N2 O5
• 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: 10.6341 ± 0.0005 Å
• b: 16.3753 ± 0.0007 Å
• c: 17.6369 ± 0.0008 Å
• α: 64.812 ± 0.002°
• β: 87.802 ± 0.002°
• γ: 88.57 ± 0.002°
• Cell volume: 2777 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1418
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No