Information card for entry 7134156

Structure parameters

• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• Title of publication: Optical cavity enhancement of visible light-driven photochemical reaction in the crystalline state.
• Authors of publication: Sasaki, Ikuto; Takahashi, Kiyonori; Taemaitree, Farsai; Nakamura, Takayoshi; Hutchison, James A.; Uji-I, Hiroshi; Hirai, Kenji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 13
• Pages of publication: 2766 - 2769
• a: 3.8527 ± 0.0001 Å
• b: 15.8701 ± 0.0005 Å
• c: 15.9967 ± 0.0006 Å
• α: 90°
• β: 94.588 ± 0.003°
• γ: 90°
• Cell volume: 974.95 ± 0.05 ų
• Cell temperature: 93.9 ± 0.7 K
• Ambient diffraction temperature: 93.9 ± 0.7 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: 0.0554
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No