Information card for entry 7134854

Structure parameters

• Formula: C29 H29 N O
• Calculated formula: C29 H29 N O
• Title of publication: Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.
• Authors of publication: Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 70
• Pages of publication: 13113 - 13116
• a: 9.6914 ± 0.0004 Å
• b: 15.3962 ± 0.0006 Å
• c: 16.3741 ± 0.0006 Å
• α: 105.062 ± 0.003°
• β: 90.118 ± 0.003°
• γ: 107.315 ± 0.003°
• Cell volume: 2243.97 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1061
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No