Information card for entry 1540724

Structure parameters

• Formula: C15 H24 N4 O4
• Calculated formula: C15 H24 N4 O4
• SMILES: c1(c(cc2c(nc3c(cc(N(C)C)cc3)n2)c1)N)C.O.O.O.O
• Title of publication: Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation
• Authors of publication: Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2016
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 644
• a: 9.43 ± 0.0019 Å
• b: 4.738 ± 0.0009 Å
• c: 18.556 ± 0.004 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 828.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2255
• Residual factor for significantly intense reflections: 0.2218
• Weighted residual factors for significantly intense reflections: 0.4964
• Weighted residual factors for all reflections included in the refinement: 0.5053
• Goodness-of-fit parameter for all reflections included in the refinement: 2.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No