Information card for entry 7234469

Structure parameters

• Formula: C82 H102 N6 O2 Si4
• Calculated formula: C82 H102 N6 O2 Si4
• Title of publication: N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors
• Authors of publication: Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 9877 - 9884
• a: 7.9319 ± 0.0008 Å
• b: 14.4277 ± 0.0012 Å
• c: 18.4216 ± 0.0016 Å
• α: 110.316 ± 0.003°
• β: 97.166 ± 0.003°
• γ: 101.674 ± 0.003°
• Cell volume: 1892 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1398
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No