Information card for entry 7241682

Structure parameters

• Common name: 3-nitrobenzylidene methanamine
• Chemical name: 3-nitrobenzylidene methanamine
• Formula: C8 H8 N2 O2
• Calculated formula: C8 H8 N2 O2
• Title of publication: Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines
• Authors of publication: Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 62
• Pages of publication: 38055 - 38062
• a: 7.4527 ± 0.0002 Å
• b: 18.3181 ± 0.0004 Å
• c: 11.3999 ± 0.0002 Å
• α: 90°
• β: 90.869 ± 0.001°
• γ: 90°
• Cell volume: 1556.13 ± 0.06 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: 0.0518
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No