Information card for entry 4123247

Structure parameters

• Formula: C21 H20 N4
• Calculated formula: C21 H20 N4
• SMILES: N1c2ccccc2[C@@H]2N([C@H]1c1c(N2)cccc1)Cc1c(N)cccc1.N1c2ccccc2[C@H]2N([C@@H]1c1c(N2)cccc1)Cc1c(N)cccc1
• Title of publication: Tandem catalysis of amines using porous graphene oxide.
• Authors of publication: Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 685 - 690
• a: 6.94 ± 0.0005 Å
• b: 32.943 ± 0.002 Å
• c: 7.1977 ± 0.0006 Å
• α: 90°
• β: 92.225 ± 0.002°
• γ: 90°
• Cell volume: 1644.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No