Crystallography Open Database

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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 140

COD ID: 4131750
CIF file Formula: - C32 H32 Cl4 N4 O8 Pb2 -
Comments: Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors. Journal of the American Chemical Society 140(8) (2018) 2805-2811
Space group: P 1 21/c 1
Cell volume: 1799.8
Cell parameters: 13.4033; 7.6867; 17.4828; 90; 92.257; 90;  

COD ID: 4131751
CIF file Formula: - C16 H18 Cl6 N2 O5 Pb3 -
Comments: Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors. Journal of the American Chemical Society 140(8) (2018) 2805-2811
Space group: P 21 21 21
Cell volume: 2417.3
Cell parameters: 4.3181; 22.051; 25.387; 90; 90; 90;  

COD ID: 4131752
CIF file Formula: - C16 H22 O9 -
Comments: Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D. Journal of the American Chemical Society 140(7) (2018) 2485-2492
Space group: P 21 21 21
Cell volume: 1675.53
Cell parameters: 9.9474; 10.9082; 15.4415; 90; 90; 90;  

COD ID: 4131801
CIF file Formula: - C68 H98 F6 N2 O Sb -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1
Cell volume: 1678
Cell parameters: 9.311; 13.035; 14.124; 98.484; 93.383; 96.918;  

COD ID: 4131802
CIF file Formula: - C54 H74 Br6.12 N2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1 2/c 1
Cell volume: 2811.2
Cell parameters: 15.4517; 9.0569; 20.8129; 90; 105.163; 90;  

COD ID: 4131803
CIF file Formula: - C54 H74 N2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1 21/n 1
Cell volume: 2397.18
Cell parameters: 10.7485; 13.164; 17.4642; 90; 104.046; 90;  

COD ID: 4131804
CIF file Formula: - C70 H94 N2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1
Cell volume: 3666.5
Cell parameters: 12.3025; 16.8211; 18.2404; 90.61; 100.148; 99.052;  

COD ID: 4131805
CIF file Formula: - C64 H90 N2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1
Cell volume: 1398.9
Cell parameters: 9.242; 9.965; 15.328; 94.187; 93.093; 95.429;  

COD ID: 4131806
CIF file Formula: - C54 H74 F12 N2 Sb2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1 21/c 1
Cell volume: 3237.9
Cell parameters: 15.2342; 9.4798; 23.3954; 90; 106.598; 90;  

COD ID: 4131807
CIF file Formula: - C64 H90 N2 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1
Cell volume: 1372.6
Cell parameters: 9.1599; 9.876; 15.304; 95.2; 94.29; 92.92;  

COD ID: 4131808
CIF file Formula: - C70 H76 Cl4 N6 O4 -
Comments: Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society 140(7) (2018) 2546-2554
Space group: P 1 21/n 1
Cell volume: 3972.5
Cell parameters: 9.8881; 21.821; 18.424; 90; 92.142; 90;  

COD ID: 4131823
CIF file Formula: - C342 H334 Cl16 Co8 N72 O29 -
Comments: Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D. Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis. Journal of the American Chemical Society 140(8) (2018) 2821-2828
Space group: R -3 :H
Cell volume: 32432.7
Cell parameters: 33.0793; 33.0793; 34.2247; 90; 90; 120;  

COD ID: 4131824
CIF file Formula: - C174 H170 B0.5 Co4 F2 I7.5 N36 O14 -
Comments: Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D. Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis. Journal of the American Chemical Society 140(8) (2018) 2821-2828
Space group: C 1 2/c 1
Cell volume: 39658
Cell parameters: 32.939; 29.973; 40.4; 90; 96.126; 90;  

COD ID: 4131826
CIF file Formula: - C17 H26 F6 Fe N4 O7 S2 -
Comments: Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate. Journal of the American Chemical Society 140(11) (2018) 3916-3928
Space group: P n a 21
Cell volume: 2435.5
Cell parameters: 17.9397; 10.0271; 13.5393; 90; 90; 90;  

COD ID: 4131827
CIF file Formula: - C38 H39 F3 N6 O8 S Zn2 -
Comments: White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases. Journal of the American Chemical Society 140(7) (2018) 2562-2574
Space group: P -1
Cell volume: 2088.44
Cell parameters: 10.0025; 12.9467; 16.8634; 80.333; 76.467; 84.106;  

COD ID: 4131828
CIF file Formula: - C44 H51 F3 Fe2 N6 O9 S -
Comments: White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases. Journal of the American Chemical Society 140(7) (2018) 2562-2574
Space group: P -1
Cell volume: 2381.61
Cell parameters: 9.95848; 13.0629; 18.7207; 97.0851; 97.0567; 95.8092;  

COD ID: 4131830
CIF file Formula: - C63 H75.66 Nd O3.33 -
Comments: Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes. Journal of the American Chemical Society 140(7) (2018) 2587-2594
Space group: P 1 21/c 1
Cell volume: 4837.2
Cell parameters: 11.4694; 36.8012; 11.974; 90; 106.846; 90;  

COD ID: 4131831
CIF file Formula: - C81 H112 K N2 Nd O10 -
Comments: Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes. Journal of the American Chemical Society 140(7) (2018) 2587-2594
Space group: P 21 3
Cell volume: 7873
Cell parameters: 19.894; 19.894; 19.894; 90; 90; 90;  

COD ID: 4131832
CIF file Formula: - C91 H141 Hf3 N9 O25 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11779.7
Cell parameters: 18.8699; 18.8699; 33.0822; 90; 90; 90;  

COD ID: 4131833
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12200.5
Cell parameters: 19.5041; 19.5041; 32.072; 90; 90; 90;  

COD ID: 4131834
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12129.8
Cell parameters: 19.4378; 19.4378; 32.104; 90; 90; 90;  

COD ID: 4131835
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12003
Cell parameters: 19.3567; 19.3567; 32.036; 90; 90; 90;  

COD ID: 4131836
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12265
Cell parameters: 19.465; 19.465; 32.371; 90; 90; 90;  

COD ID: 4131837
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12087.8
Cell parameters: 19.343; 19.343; 32.3072; 90; 90; 90;  

COD ID: 4131838
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12213.2
Cell parameters: 19.3785; 19.3785; 32.523; 90; 90; 90;  

COD ID: 4131839
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12072
Cell parameters: 19.177; 19.177; 32.827; 90; 90; 90;  

COD ID: 4131840
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11980
Cell parameters: 19.1867; 19.1867; 32.543; 90; 90; 90;  

COD ID: 4131841
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11952.1
Cell parameters: 19.1631; 19.1631; 32.547; 90; 90; 90;  

COD ID: 4131842
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11897.3
Cell parameters: 19.082; 19.082; 32.674; 90; 90; 90;  

COD ID: 4131843
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11771.7
Cell parameters: 18.9396; 18.9396; 32.817; 90; 90; 90;  

COD ID: 4131844
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11978
Cell parameters: 19.079; 19.079; 32.905; 90; 90; 90;  

COD ID: 4131845
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11877.3
Cell parameters: 18.932; 18.932; 33.138; 90; 90; 90;  

COD ID: 4131846
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11681.9
Cell parameters: 18.8445; 18.8445; 32.896; 90; 90; 90;  

COD ID: 4131847
CIF file Formula: - C88 H72 Hf6 O32 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11264
Cell parameters: 18.243; 18.243; 33.845; 90; 90; 90;  

COD ID: 4131848
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11890.7
Cell parameters: 19.0173; 19.0173; 32.8783; 90; 90; 90;  

COD ID: 4131849
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12321
Cell parameters: 19.4481; 19.4481; 32.575; 90; 90; 90;  

COD ID: 4131850
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12250
Cell parameters: 19.3348; 19.3348; 32.768; 90; 90; 90;  

COD ID: 4131851
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12137
Cell parameters: 19.188; 19.188; 32.964; 90; 90; 90;  

COD ID: 4131852
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12094
Cell parameters: 19.1326; 19.1326; 33.039; 90; 90; 90;  

COD ID: 4131853
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11784.9
Cell parameters: 18.9366; 18.9366; 32.864; 90; 90; 90;  

COD ID: 4131854
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12074
Cell parameters: 19.1146; 19.1146; 33.047; 90; 90; 90;  

COD ID: 4131855
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12031
Cell parameters: 19.0765; 19.0765; 33.061; 90; 90; 90;  

COD ID: 4131856
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12017
Cell parameters: 19.037; 19.037; 33.159; 90; 90; 90;  

COD ID: 4131857
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12006
Cell parameters: 19.0243; 19.0243; 33.174; 90; 90; 90;  

COD ID: 4131858
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12013
Cell parameters: 19.041; 19.041; 33.134; 90; 90; 90;  

COD ID: 4131859
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12008
Cell parameters: 19.0375; 19.0375; 33.133; 90; 90; 90;  

COD ID: 4131860
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11973
Cell parameters: 19.0042; 19.0042; 33.152; 90; 90; 90;  

COD ID: 4131861
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11668
Cell parameters: 18.779; 18.779; 33.087; 90; 90; 90;  

COD ID: 4131862
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11849.8
Cell parameters: 18.8806; 18.8806; 33.2413; 90; 90; 90;  

COD ID: 4131863
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11872.1
Cell parameters: 18.9111; 18.9111; 33.1966; 90; 90; 90;  

COD ID: 4131864
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 11878.9
Cell parameters: 18.9092; 18.9092; 33.2222; 90; 90; 90;  

COD ID: 4131865
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12143
Cell parameters: 19.1734; 19.1734; 33.032; 90; 90; 90;  

COD ID: 4131866
CIF file Formula: - C46 H34 O16 Zr3 -
Comments: Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf). Journal of the American Chemical Society 140(11) (2018) 3952-3958
Space group: P 4/m n c
Cell volume: 12226
Cell parameters: 19.28; 19.28; 32.89; 90; 90; 90;  

COD ID: 4131867
CIF file Formula: - C29 H28 B F10 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: C 1 2/c 1
Cell volume: 5693
Cell parameters: 29.854; 10.5623; 23.234; 90; 129.007; 90;  

COD ID: 4131868
CIF file Formula: - C30 H32 B F10 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: C 1 2/c 1
Cell volume: 5926.4
Cell parameters: 30.8901; 10.7574; 23.1166; 90; 129.511; 90;  

COD ID: 4131869
CIF file Formula: - C30 H21 B F15 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P 1 21/n 1
Cell volume: 5605.7
Cell parameters: 16.6005; 15.9553; 22.3028; 90; 108.385; 90;  

COD ID: 4131870
CIF file Formula: - C32 H30 B F10 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P 1 21/c 1
Cell volume: 2949.04
Cell parameters: 13.1325; 14.4932; 16.2201; 90; 107.206; 90;  

COD ID: 4131871
CIF file Formula: - C40 H34 B F10 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P -1
Cell volume: 1758.27
Cell parameters: 9.4038; 10.8415; 18.5386; 96.508; 101.595; 105.266;  

COD ID: 4131872
CIF file Formula: - C42 H36 B F10 N O -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P 1 21/c 1
Cell volume: 3633.61
Cell parameters: 21.1713; 9.5824; 20.2501; 90; 117.812; 90;  

COD ID: 4131873
CIF file Formula: - C38 H36 B F10 N O -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P 1 21/n 1
Cell volume: 3470.08
Cell parameters: 13.959; 14.6616; 17.3506; 90; 102.255; 90;  

COD ID: 4131874
CIF file Formula: - C37 H36 B F10 N O -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P -1
Cell volume: 1638.07
Cell parameters: 10.0116; 10.3869; 16.58; 75.778; 79.29; 83.508;  

COD ID: 4131875
CIF file Formula: - C43 H42 B2 F15 N -
Comments: Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement. Journal of the American Chemical Society 140(10) (2018) 3635-3643
Space group: P -1
Cell volume: 2031.6
Cell parameters: 11.3453; 12.0116; 16.1572; 74.992; 72.799; 85.628;  

COD ID: 4131876
CIF file Formula: - C46 H248 N23 Na9 O254 P4 Se4 W64 -
Comments: Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society 140(7) (2018) 2595-2601
Space group: P 42/n :2
Cell volume: 17249.8
Cell parameters: 34.8679; 34.8679; 14.1884; 90; 90; 90;  

COD ID: 4131877
CIF file Formula: - C26 H168 N13 Na19 O254 P4 Te4 W64 -
Comments: Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society 140(7) (2018) 2595-2601
Space group: P 1 21/m 1
Cell volume: 16384.8
Cell parameters: 15.2204; 37.8175; 29.2768; 90; 103.518; 90;  

COD ID: 4131878
CIF file Formula: - C30 H188 N15 Na17 O254 P8 W64 -
Comments: Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society 140(7) (2018) 2595-2601
Space group: P 42/n :2
Cell volume: 17117.2
Cell parameters: 34.7924; 34.7924; 14.1405; 90; 90; 90;  

COD ID: 4131879
CIF file Formula: - C38 H276 As4 N19 Na17 O284 P4 W64 -
Comments: Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society 140(7) (2018) 2595-2601
Space group: C 1 2/c 1
Cell volume: 66628
Cell parameters: 57.258; 15.0627; 77.278; 90; 91.453; 90;  

COD ID: 4131880
CIF file Formula: - C260 H378 Cl12 N56 O71.5 S14 -
Comments: Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society 140(17) (2018) 5661-5665
Space group: P 1 2 1
Cell volume: 9860
Cell parameters: 18.981; 25.97; 21.424; 90; 110.983; 90;  

COD ID: 4131881
CIF file Formula: - C123 H166 Cl7 N33 O30 S7 -
Comments: Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society 140(17) (2018) 5661-5665
Space group: P 41 21 2
Cell volume: 8423.1
Cell parameters: 17.0979; 17.0979; 28.8128; 90; 90; 90;  

COD ID: 4131883
CIF file Formula: - C252 H246 Ag26 P6 Pt S18 -
Comments: He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters. Journal of the American Chemical Society 140(10) (2018) 3487-3490
Space group: R -3 c :H
Cell volume: 42043
Cell parameters: 31.446; 31.446; 49.095; 90; 90; 120;  

COD ID: 4131884
CIF file Formula: - C20 H30 O4 -
Comments: Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L. A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes. Journal of the American Chemical Society 140(6) (2018) 2007-2011
Space group: P 1 21 1
Cell volume: 952.6
Cell parameters: 6.1913; 8.7775; 17.654; 90; 96.821; 90;  

COD ID: 4131885
CIF file Formula: - C36 H60 B6 O12 -
Comments: Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P. Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope. Journal of the American Chemical Society 140(10) (2018) 3663-3673
Space group: P 1 21/n 1
Cell volume: 4133.6
Cell parameters: 10.9587; 19.3545; 19.5983; 90; 96.063; 90;  

COD ID: 4131886
CIF file Formula: - C26 H23 Au F3 N O2 -
Comments: Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society 140(8) (2018) 2875-2879
Space group: P n a 21
Cell volume: 2321.35
Cell parameters: 6.4976; 14.353; 24.8911; 90; 90; 90;  

COD ID: 4131887
CIF file Formula: - C26 H23 Au F3 N O2 -
Comments: Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society 140(8) (2018) 2875-2879
Space group: P n a 21
Cell volume: 2327.6
Cell parameters: 6.5333; 14.3788; 24.7773; 90; 90; 90;  

COD ID: 4131888
CIF file Formula: - C24 H15 Au F3 N -
Comments: Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society 140(8) (2018) 2875-2879
Space group: P -1
Cell volume: 949.55
Cell parameters: 8.7329; 9.2722; 11.9521; 87.876; 81.512; 82.835;  

COD ID: 4131889
CIF file Formula: - C24 H15 Au F3 N -
Comments: Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color. Journal of the American Chemical Society 140(8) (2018) 2875-2879
Space group: P -1
Cell volume: 956.45
Cell parameters: 8.7264; 9.3243; 11.9764; 87.967; 81.741; 82.7141;  

COD ID: 4131890
CIF file Formula: - C88 H142 N8 Ni2 O12 -
Comments: Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides. Journal of the American Chemical Society 140(9) (2018) 3299-3305
Space group: P 1 21 1
Cell volume: 5266.2
Cell parameters: 10.9543; 23.5971; 20.4838; 90; 95.962; 90;  

COD ID: 4131891
CIF file Formula: - C8 H12 Br6 Cd N2 -
Comments: Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society 140(11) (2018) 3975-3980
Space group: P n m a
Cell volume: 2144
Cell parameters: 12.783; 9.491; 17.67; 90; 90; 90;  

COD ID: 4131892
CIF file Formula: - C4 H11 Br3 Cd Cl N -
Comments: Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society 140(11) (2018) 3975-3980
Space group: P 63/m m c
Cell volume: 558.69
Cell parameters: 9.59; 9.59; 7.0146; 90; 90; 120;  

COD ID: 4131893
CIF file Formula: - C4 H11 Br3 Cd Cl N -
Comments: Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society 140(11) (2018) 3975-3980
Space group: P 63 m c
Cell volume: 550.22
Cell parameters: 9.514; 9.514; 7.0191; 90; 90; 120;  

COD ID: 4131894
CIF file Formula: - C4 H11 Br3 Cd Cl N -
Comments: Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society 140(11) (2018) 3975-3980
Space group: P 63 m c
Cell volume: 534.1
Cell parameters: 9.402; 9.402; 6.977; 90; 90; 120;  

COD ID: 4131895
CIF file Formula: - C16 H44 Br12 Cd2 N4 -
Comments: Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response. Journal of the American Chemical Society 140(11) (2018) 3975-3980
Space group: P 1 21/c 1
Cell volume: 2118
Cell parameters: 9.539; 17.604; 12.628; 90; 92.695; 90;  

COD ID: 4131896
CIF file Formula: - C17 H9 N2 S2 -
Comments: Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M. Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl. Journal of the American Chemical Society 140(20) (2018) 6260-6270
Space group: P 1 21 1
Cell volume: 1262
Cell parameters: 7.3514; 8.0601; 21.3723; 90; 94.7647; 90;  

COD ID: 4131897
CIF file Formula: - C25 H28 Cu F3 N5 O6 S -
Comments: Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A. The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms. Journal of the American Chemical Society 140(8) (2018) 2933-2939
Space group: P 1 21/n 1
Cell volume: 2716.74
Cell parameters: 7.3589; 19.2305; 19.2279; 90; 93.221; 90;  

COD ID: 4131898
CIF file Formula: - C29 H29 Cu2 N5 O8 -
Comments: Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A. The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms. Journal of the American Chemical Society 140(8) (2018) 2933-2939
Space group: C 1 2/c 1
Cell volume: 3001.1
Cell parameters: 26.0869; 14.8694; 8.1356; 90; 108.012; 90;  

COD ID: 4131899
CIF file Formula: - C17 H24 N2 O2 -
Comments: Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone. Journal of the American Chemical Society 140(9) (2018) 3177-3180
Space group: P 1 21 1
Cell volume: 1649.18
Cell parameters: 12.1758; 10.373; 14.1803; 90; 112.952; 90;  

COD ID: 4131900
CIF file Formula: - C188 H142 Eu4 F36 N12 O35 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 10988.2
Cell parameters: 25.7797; 34.9694; 12.4506; 90; 101.77; 90;  

COD ID: 4131901
CIF file Formula: - C184 H128 F36 N12 O36 Yb4 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 23810.6
Cell parameters: 33.7188; 32.0387; 22.5439; 90; 102.13; 90;  

COD ID: 4131902
CIF file Formula: - C184 H132 F36 N12 O34 Sm4 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 11036.3
Cell parameters: 25.759; 35.1455; 12.463; 90; 102.001; 90;  

COD ID: 4131903
CIF file Formula: - C184 H132 Eu4 F36 N12 O34 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 11000
Cell parameters: 25.7603; 35.035; 12.4435; 90; 101.626; 90;  

COD ID: 4131904
CIF file Formula: - C184 H128 F36 N12 O36 Yb4 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 23691.6
Cell parameters: 33.9451; 31.7821; 22.4739; 90; 102.275; 90;  

COD ID: 4131905
CIF file Formula: - C187 H112 F36 N12 O44 Y4 -
Comments: Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. Journal of the American Chemical Society 140(10) (2018) 3683-3689
Space group: C 1 2 1
Cell volume: 23620.8
Cell parameters: 33.7309; 32.1542; 22.2394; 90; 101.685; 90;  

COD ID: 4131906
CIF file Formula: - C250.03 H329.15 Cl16.96 N32 O38.38 Tb2 -
Comments: Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement. Journal of the American Chemical Society 140(8) (2018) 2995-3007
Space group: P -1
Cell volume: 6875.1
Cell parameters: 17.3755; 19.9053; 22.8678; 64.5031; 88.255; 75.2468;  

COD ID: 4131907
CIF file Formula: - C38.52 H35.81 Cl Fe N4 O7.38 -
Comments: Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P. Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex. Journal of the American Chemical Society 140(12) (2018) 4191-4194
Space group: P -1
Cell volume: 1796.31
Cell parameters: 10.0679; 12.6568; 15.6766; 98.834; 106.858; 104.372;  

COD ID: 4131908
CIF file Formula: - C39.38 H35.62 Cl Fe N5.38 O5.62 -
Comments: Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P. Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex. Journal of the American Chemical Society 140(12) (2018) 4191-4194
Space group: P 1 21/n 1
Cell volume: 3555.08
Cell parameters: 10.112; 22.0629; 16.4935; 90; 104.954; 90;  

COD ID: 4131909
CIF file Formula: - C39 H46 B F2 N3 O4 -
Comments: Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S. Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues. Journal of the American Chemical Society 140(16) (2018) 5401-5411
Space group: P 1 21/c 1
Cell volume: 3533.6
Cell parameters: 15.6805; 10.4626; 21.9659; 90; 101.322; 90;  

COD ID: 4131910
CIF file Formula: - C44 H4.6 O44.5 Zr6 -
Comments: Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis. Journal of the American Chemical Society 140(6) (2018) 2028-2031
Space group: C 1 2 1
Cell volume: 4465
Cell parameters: 20.747; 20.747; 14.67; 90; 135; 90;  

COD ID: 4131911
CIF file Formula: - C49 H63 F24 N10 O7 P4 S5 -
Comments: Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L. Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box. Journal of the American Chemical Society 140(22) (2018) 6823-6831
Space group: P -1
Cell volume: 3495
Cell parameters: 14.493; 14.921; 17.665; 100.095; 107.797; 98.626;  

COD ID: 4131912
CIF file Formula: - C43 H33 F18 N10 O4 P3 S2 -
Comments: Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L. Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box. Journal of the American Chemical Society 140(22) (2018) 6823-6831
Space group: P n m a
Cell volume: 10152
Cell parameters: 27.323; 31.177; 11.9178; 90; 90; 90;  

COD ID: 4131913
CIF file Formula: - C26 H54 Ca2 I2 O6 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P n a 21
Cell volume: 3388
Cell parameters: 19.866; 7.7093; 22.122; 90; 90; 90;  

COD ID: 4131914
CIF file Formula: - C29.92 H64.75 Ca3 I1.08 O5 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P 1 21/n 1
Cell volume: 3915
Cell parameters: 12.223; 17.635; 18.194; 90; 93.383; 90;  

COD ID: 4131915
CIF file Formula: - C55 H88 B2 Ca N12 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P -1
Cell volume: 2873
Cell parameters: 11.864; 12.059; 20.598; 96.07; 95.89; 99.03;  

COD ID: 4131916
CIF file Formula: - C62 H110 B2 Ca2 N12 O3 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P -1
Cell volume: 3481.3
Cell parameters: 11.6278; 15.9075; 19.5703; 79.691; 80.461; 80.899;  

COD ID: 4131917
CIF file Formula: - C30 H53 B Ca N6 O -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P 1 21/n 1
Cell volume: 7267.6
Cell parameters: 22.2039; 12.3521; 27.028; 90; 101.36; 90;  

COD ID: 4131918
CIF file Formula: - C55 H108 Ca2 O6 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P 1 21 1
Cell volume: 2871.6
Cell parameters: 12.3787; 19.6198; 12.7078; 90; 111.5; 90;  

COD ID: 4131919
CIF file Formula: - C52.5 H105.5 Ca2 O5 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: P 1 21/n 1
Cell volume: 5596.3
Cell parameters: 13.0501; 19.3522; 22.1731; 90; 92.027; 90;  

COD ID: 4131920
CIF file Formula: - C8 H24 Ca Ga2 -
Comments: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Dimethylcalcium. Journal of the American Chemical Society 140(6) (2018) 2373-2383
Space group: C m c 21
Cell volume: 1408.8
Cell parameters: 7.388; 19.802; 9.63; 90; 90; 90;  

COD ID: 4131921
CIF file Formula: - C27 H19 N2 P -
Comments: Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore. Journal of the American Chemical Society 140(6) (2018) 2046-2049
Space group: C 1 2 1
Cell volume: 2161.6
Cell parameters: 15.317; 8.924; 16.982; 90; 111.376; 90;  

COD ID: 4131922
CIF file Formula: - C19 H13 N2 P -
Comments: Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore. Journal of the American Chemical Society 140(6) (2018) 2046-2049
Space group: C 1 2 1
Cell volume: 3859
Cell parameters: 15.138; 9.219; 28.143; 90; 100.742; 90;  

COD ID: 4131923
CIF file Formula: - C21 H21 N O5 -
Comments: Wang, Gang-Wei; Bower, John F. Modular Access to Azepines by Directed Carbonylative C-C Bond Activation of Aminocyclopropanes. Journal of the American Chemical Society 140(8) (2018) 2743-2747
Space group: P -1
Cell volume: 904.82
Cell parameters: 6.4957; 9.6763; 14.8709; 97.388; 95.474; 100.439;  

COD ID: 4131924
CIF file Formula: - C276 H288 Cl6 N6 Ni18 O36 S30 -
Comments: Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei Calixarene-Based {Ni<sub>18</sub>} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication. Journal of the American Chemical Society 140(20) (2018) 6271-6277
Space group: P -1
Cell volume: 10156
Cell parameters: 18.052; 23.231; 26.344; 70.236; 77.675; 86.573;  

COD ID: 4131925
CIF file Formula: - C10 H20 Cl2 Cu N16 O8 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: C 1 2/c 1
Cell volume: 2360.39
Cell parameters: 15.0672; 9.0113; 17.5426; 90; 97.696; 90;  

COD ID: 4131926
CIF file Formula: - C8 H20 Cl2 Cu N20 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P 1 21/n 1
Cell volume: 2272.3
Cell parameters: 13.1028; 10.7288; 16.2265; 90; 95.036; 90;  

COD ID: 4131927
CIF file Formula: - C8 H16 Cl2 Cu N16 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P 1 21/n 1
Cell volume: 1041.56
Cell parameters: 7.6403; 10.0072; 13.623; 90; 90.4; 90;  

COD ID: 4131928
CIF file Formula: - C10 H16 Cl2 Cu N16 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: C 1 2/c 1
Cell volume: 2155.44
Cell parameters: 14.6638; 8.9883; 16.3538; 90; 90.324; 90;  

COD ID: 4131929
CIF file Formula: - C10 H16 Cl2 Cu N16 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P -1
Cell volume: 526.6
Cell parameters: 6.7837; 8.182; 10.1959; 108.068; 101.188; 90.137;  

COD ID: 4131930
CIF file Formula: - C6 H12 Cl2 Cu N12 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: C 1 2/m 1
Cell volume: 1632.6
Cell parameters: 13.5622; 15.5713; 7.7338; 90; 91.559; 90;  

COD ID: 4131931
CIF file Formula: - C12 H20 Cl2 Cu N16 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P 1 21/n 1
Cell volume: 1116.77
Cell parameters: 10.7286; 6.8178; 15.5263; 90; 100.469; 90;  

COD ID: 4131932
CIF file Formula: - C4 H14 Cl2 Cu N10 O8 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P -1
Cell volume: 385.81
Cell parameters: 6.5617; 7.526; 9.0097; 111.762; 98.711; 104.197;  

COD ID: 4131933
CIF file Formula: - C8 H16 Cl2 Cu N16 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P -1
Cell volume: 982.43
Cell parameters: 7.2932; 10.9456; 12.417; 93.041; 96.845; 91.156;  

COD ID: 4131934
CIF file Formula: - C15 H24 Cl2 Cu N24 O6 -
Comments: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society 140(9) (2018) 3206-3209
Space group: P -3 c 1
Cell volume: 1496.78
Cell parameters: 10.9642; 10.9642; 14.3772; 90; 90; 120;  

COD ID: 4131935
CIF file Formula: - C57 H72 Ce N9 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: R -3 c :H
Cell volume: 16820
Cell parameters: 18.626; 18.626; 55.983; 90; 90; 120;  

COD ID: 4131936
CIF file Formula: - C36 H72 Ce N9 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: P -1
Cell volume: 2102.09
Cell parameters: 10.0315; 11.8803; 17.842; 82.423; 85.788; 89.638;  

COD ID: 4131937
CIF file Formula: - C39 H84 Ce N9 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: P 1 21/c 1
Cell volume: 4648.6
Cell parameters: 13.2861; 19.9413; 18.6655; 90; 109.946; 90;  

COD ID: 4131938
CIF file Formula: - C48 H96 Ce N9 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: C 1 2/c 1
Cell volume: 5640.4
Cell parameters: 24.249; 13.9439; 18.4167; 90; 115.072; 90;  

COD ID: 4131939
CIF file Formula: - C42 H96 Ce N9 Si3 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: P 1 21/c 1
Cell volume: 5412.3
Cell parameters: 12.8493; 10.7028; 39.41; 90; 93.013; 90;  

COD ID: 4131940
CIF file Formula: - C67 H116 Ce I2 Li N6 O2 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: P 1 21/n 1
Cell volume: 6861.1
Cell parameters: 20.8203; 15.8035; 20.8531; 90; 90.547; 90;  

COD ID: 4131941
CIF file Formula: - C81 H132 Ce N9 -
Comments: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. Journal of the American Chemical Society 140(13) (2018) 4588-4595
Space group: R 3 c :H
Cell volume: 44131
Cell parameters: 44.203; 44.203; 26.08; 90; 90; 120;  

COD ID: 4131942
CIF file Formula: - C20 H22 Cl F3 N2 O -
Comments: Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes. Journal of the American Chemical Society 140(7) (2018) 2438-2441
Space group: P 21 21 21
Cell volume: 1838.71
Cell parameters: 8.998; 11.5663; 17.6674; 90; 90; 90;  

COD ID: 4131943
CIF file Formula: - C20 H20 N2 O4 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 21 21 21
Cell volume: 1658.6
Cell parameters: 9.64769; 11.43518; 15.03401; 90; 90; 90;  

COD ID: 4131944
CIF file Formula: - C23 H26 N2 O7 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 1009.7
Cell parameters: 8.161; 10.276; 13.734; 102.45; 97.861; 112.29;  

COD ID: 4131945
CIF file Formula: - C24 H26 N2 O7 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 1046.28
Cell parameters: 6.8694; 10.0331; 15.3665; 81.1902; 88.6152; 89.8076;  

COD ID: 4131946
CIF file Formula: - C20 H16 Br3 N4 Ru -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 498.14
Cell parameters: 7.2777; 8.2938; 9.0157; 77.686; 83.158; 69.733;  

COD ID: 4131947
CIF file Formula: - C22 H24 N2 O5 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 1 21/n 1
Cell volume: 1870.26
Cell parameters: 8.7314; 18.821; 11.6512; 90; 102.367; 90;  

COD ID: 4131948
CIF file Formula: - C49.5 H55 N4 O12.5 S2 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: C 1 2 1
Cell volume: 4850.87
Cell parameters: 45.773; 7.9396; 13.4558; 90; 97.262; 90;  

COD ID: 4131949
CIF file Formula: - C23 H26 N2 O6 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 1 21/n 1
Cell volume: 1976.81
Cell parameters: 12.0865; 13.2673; 13.6282; 90; 115.234; 90;  

COD ID: 4131950
CIF file Formula: - C24 H30 N2 O6 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 1 21/n 1
Cell volume: 2119.72
Cell parameters: 10.9813; 8.0063; 24.4059; 90; 98.934; 90;  

COD ID: 4131951
CIF file Formula: - C21 H20 N2 O5 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 844.3
Cell parameters: 7.2219; 9.354; 13.497; 84.894; 85.225; 68.613;  

COD ID: 4131952
CIF file Formula: - C24 H28 N2 O6 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 1039.6
Cell parameters: 7.9625; 10.842; 12.972; 74.54; 74.559; 87.974;  

COD ID: 4131953
CIF file Formula: - C24 H26 N2 O7 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: A e a 2
Cell volume: 4194.6
Cell parameters: 13.6713; 37.374; 8.2094; 90; 90; 90;  

COD ID: 4131954
CIF file Formula: - C21 H20.18 N2 O5.09 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 21 21 21
Cell volume: 1762.8
Cell parameters: 7.84898; 14.47011; 15.52093; 90; 90; 90;  

COD ID: 4131955
CIF file Formula: - C22 H24 Cl2 N2 O4 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P -1
Cell volume: 1005.43
Cell parameters: 7.3663; 11.4058; 12.1822; 85.2854; 81.2598; 85.079;  

COD ID: 4131956
CIF file Formula: - C23 H27 Cl3 N2 O6 -
Comments: Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. Journal of the American Chemical Society 140(16) (2018) 5393-5400
Space group: P 1 21/n 1
Cell volume: 2349.6
Cell parameters: 11.221; 7.2383; 29.137; 90; 96.855; 90;  

COD ID: 4131957
CIF file Formula: - C170 H142 Cl4 N8 O18.66667 -
Comments: Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society 140(8) (2018) 2769-2772
Space group: C 1 2 1
Cell volume: 27282
Cell parameters: 47.826; 21.1891; 27.0097; 90; 94.628; 90;  

COD ID: 4131958
CIF file Formula: - C52 H40 O4 -
Comments: Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society 140(8) (2018) 2769-2772
Space group: P 21 21 21
Cell volume: 3822.3
Cell parameters: 6.5343; 17.9861; 32.523; 90; 90; 90;  

COD ID: 4131959
CIF file Formula: - C30 H16 -
Comments: Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society 140(8) (2018) 2769-2772
Space group: P 21 21 21
Cell volume: 1892.97
Cell parameters: 5.146; 18.162; 20.254; 90; 90; 90;  

COD ID: 4131960
CIF file Formula: - C171.33333 H144.66667 Cl6.66667 N8 O24 -
Comments: Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene. Journal of the American Chemical Society 140(8) (2018) 2769-2772
Space group: C 1 2 1
Cell volume: 27172
Cell parameters: 47.641; 21.1704; 27.0403; 90; 94.904; 90;  

COD ID: 4131961
CIF file Formula: - C12 H13 N3 O6 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 1387.5
Cell parameters: 7.4332; 8.2644; 22.734; 90; 96.542; 90;  

COD ID: 4131962
CIF file Formula: - C27 H30 N4 O11 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1464
Cell parameters: 10.817; 11.154; 13.163; 92.607; 112.415; 92.17;  

COD ID: 4131963
CIF file Formula: - C16 H15 N5 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 834.91
Cell parameters: 7.0021; 9.7512; 13.0986; 70.369; 88.781; 82.494;  

COD ID: 4131964
CIF file Formula: - C12 H13 N3 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1341.78
Cell parameters: 7.3537; 14.8454; 12.3215; 90; 94.038; 90;  

COD ID: 4131965
CIF file Formula: - C18 H21 N5 O8 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P b c a
Cell volume: 4175.69
Cell parameters: 10.4132; 13.5716; 29.547; 90; 90; 90;  

COD ID: 4131966
CIF file Formula: - C12 H14 N4 O8 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 1521.4
Cell parameters: 7.017; 17.287; 12.578; 90; 94.34; 90;  

COD ID: 4131967
CIF file Formula: - C18 H23 N5 O6 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: I 1 2/a 1
Cell volume: 2113.4
Cell parameters: 11.6451; 8.0014; 22.6883; 90; 91.37; 90;  

COD ID: 4131968
CIF file Formula: - C16 H26 N5 O8 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1101.9
Cell parameters: 9.9888; 10.2796; 12.3288; 68.939; 79.698; 69.115;  

COD ID: 4131969
CIF file Formula: - C16 H17 N7 O10 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1036.19
Cell parameters: 7.7154; 11.5739; 12.5866; 68.866; 83.563; 82.184;  

COD ID: 4131970
CIF file Formula: - C58 H64 N4 O13 S4 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: C 1 2/c 1
Cell volume: 5707.4
Cell parameters: 26.738; 7.081; 30.146; 90; 90.53; 90;  

COD ID: 4131971
CIF file Formula: - C26 H26 N4 O12 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 713.12
Cell parameters: 6.0303; 9.721; 12.4638; 98.012; 94.549; 97.848;  

COD ID: 4131972
CIF file Formula: - C20 H23 N3 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1940.15
Cell parameters: 14.5751; 7.3814; 18.0511; 90; 92.517; 90;  

COD ID: 4131973
CIF file Formula: - C26 H28 N2 O8 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1336.1
Cell parameters: 5.7205; 20.45; 11.7153; 90; 102.871; 90;  

COD ID: 4131974
CIF file Formula: - C24 H22 N4 O12 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1302.49
Cell parameters: 12.9855; 7.3929; 13.8095; 90; 100.742; 90;  

COD ID: 4131975
CIF file Formula: - C24 H26 N2 O9 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1234.68
Cell parameters: 7.7042; 12.1758; 13.3268; 84.238; 89.648; 83.067;  

COD ID: 4131976
CIF file Formula: - C24 H26 N2 O11 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 2545.49
Cell parameters: 12.9248; 7.3758; 26.709; 90; 91.338; 90;  

COD ID: 4131977
CIF file Formula: - C28 H32 N2 O8 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: C 1 2/c 1
Cell volume: 2845.9
Cell parameters: 21.8681; 5.6881; 23.3203; 90; 101.161; 90;  

COD ID: 4131978
CIF file Formula: - C10 H12 N O4 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 1066.79
Cell parameters: 8.124; 5.7011; 23.0661; 90; 93.074; 90;  

COD ID: 4131979
CIF file Formula: - C10 H12 N O3 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1053.24
Cell parameters: 8.8901; 7.0512; 16.8721; 90; 95.229; 90;  

COD ID: 4131980
CIF file Formula: - C10 H11 N2 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: I 1 2/a 1
Cell volume: 2197.3
Cell parameters: 17.884; 6.712; 19.8456; 90; 112.723; 90;  

COD ID: 4131981
CIF file Formula: - C28 H32 N2 O8 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: C 1 2/c 1
Cell volume: 2627
Cell parameters: 27.044; 6.9584; 15.834; 90; 118.16; 90;  

COD ID: 4131982
CIF file Formula: - C28 H32 N2 O6 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: C 1 2/c 1
Cell volume: 2672.1
Cell parameters: 15.3959; 7.2509; 23.9608; 90; 92.573; 90;  

COD ID: 4131983
CIF file Formula: - C30 H36 N2 O6 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 2831.3
Cell parameters: 19.9706; 7.039; 21.9707; 90; 113.547; 90;  

COD ID: 4131984
CIF file Formula: - C28 H32 N4 O11 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1516.7
Cell parameters: 10.6823; 11.4435; 13.2985; 87.212; 70.525; 81.733;  

COD ID: 4131985
CIF file Formula: - C10 H11 Cl N O3 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/n 1
Cell volume: 1116.76
Cell parameters: 5.9637; 15.7025; 11.9733; 90; 95.124; 90;  

COD ID: 4131986
CIF file Formula: - C9 H9 Cl N O4 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 1047.34
Cell parameters: 8.1551; 5.7169; 22.5197; 90; 94.011; 90;  

COD ID: 4131987
CIF file Formula: - C21 H21 Cl3 N3 O6 S2 -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 1243.69
Cell parameters: 10.1766; 10.7552; 12.5205; 95.045; 109.245; 102.571;  

COD ID: 4131988
CIF file Formula: - C12 H11 Cl2 N3 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: C 1 2/c 1
Cell volume: 3045.81
Cell parameters: 22.1231; 7.2432; 19.3126; 90; 100.197; 90;  

COD ID: 4131989
CIF file Formula: - C13 H14 Cl N3 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P 1 21/c 1
Cell volume: 1629.7
Cell parameters: 7.2666; 14.9473; 15.224; 90; 99.744; 90;  

COD ID: 4131990
CIF file Formula: - C12 H12 Cl N3 O6 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 742.12
Cell parameters: 7.4388; 8.519; 12.2969; 90.408; 107.029; 94.769;  

COD ID: 4131991
CIF file Formula: - C12 H12 Cl N3 O5 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P c c n
Cell volume: 2916.71
Cell parameters: 21.7735; 14.1989; 9.4343; 90; 90; 90;  

COD ID: 4131992
CIF file Formula: - C12 H11 Cl N4 O7 S -
Comments: Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society 140(15) (2018) 5138-5145
Space group: P -1
Cell volume: 759.08
Cell parameters: 7.3874; 9.6593; 11.6166; 74.226; 82.828; 72.285;  

COD ID: 4131993
CIF file Formula: - C54 H45 B F15 Fe N4 O -
Comments: Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N<sub>2</sub>O. Journal of the American Chemical Society 140(12) (2018) 4204-4207
Space group: P -1
Cell volume: 4944.7
Cell parameters: 13.052; 15.755; 24.071; 90.625; 91.925; 91.633;  

COD ID: 4131994
CIF file Formula: - C12 H7 F3 N2 -
Comments: Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. Journal of the American Chemical Society 140(11) (2018) 3842-3845
Space group: P 1 21/n 1
Cell volume: 1025
Cell parameters: 8.722; 14.03; 8.981; 90; 111.139; 90;  

COD ID: 4131995
CIF file Formula: - C12 H7 F3 N2 -
Comments: Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. Journal of the American Chemical Society 140(11) (2018) 3842-3845
Space group: A e a 2
Cell volume: 2057.5
Cell parameters: 14.047; 14.609; 10.026; 90; 90; 90;  

COD ID: 4131996
CIF file Formula: - C10 H6 N S2 -
Comments: Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T. Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer. Journal of the American Chemical Society 140(11) (2018) 3846-3849
Space group: P -1
Cell volume: 889.4
Cell parameters: 9.431; 9.479; 10.55; 77.104; 86.491; 75.335;  

COD ID: 4131997
CIF file Formula: - C10 H12 Cu F6 N10 O Si -
Comments: Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society 140(13) (2018) 4596-4603
Space group: C 1 2/c 1
Cell volume: 3914.9
Cell parameters: 16.3598; 11.2335; 21.3117; 90; 91.676; 90;  

COD ID: 4131998
CIF file Formula: - C20 H24 Cu2 F12 N20 O2 Si2 -
Comments: Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society 140(13) (2018) 4596-4603
Space group: C m c m
Cell volume: 3996.4
Cell parameters: 16.9982; 11.0287; 21.318; 90; 90; 90;  

COD ID: 4131999
CIF file Formula: - C32 H38 O2 -
Comments: Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay. Journal of the American Chemical Society 140(10) (2018) 3514-3517
Space group: P 1 21 1
Cell volume: 2552.21
Cell parameters: 13.24067; 7.76255; 24.8383; 90; 91.3423; 90;  

COD ID: 4132000
CIF file Formula: - C20 H22 O -
Comments: Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay. Journal of the American Chemical Society 140(10) (2018) 3514-3517
Space group: P 1 21 1
Cell volume: 770.71
Cell parameters: 5.8408; 16.7324; 7.8935; 90; 92.485; 90;  

COD ID: 4132001
CIF file Formula: - C244 H256 N16 O8 Si4 Ti4 -
Comments: Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society 140(15) (2018) 4973-4976
Space group: P -1
Cell volume: 5580.91
Cell parameters: 12.843; 20.558; 23.39; 72.79; 77.72; 72.76;  

COD ID: 4132002
CIF file Formula: - C52 H71 N4 O2 Si Ti -
Comments: Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society 140(15) (2018) 4973-4976
Space group: P 1 21/n 1
Cell volume: 4963.2
Cell parameters: 12.8621; 21.1899; 18.839; 90; 104.842; 90;  

COD ID: 4132003
CIF file Formula: - C46 H66 N4 O2 Si Ti -
Comments: Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L. Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons. Journal of the American Chemical Society 140(15) (2018) 4973-4976
Space group: P 1 21/n 1
Cell volume: 4534.5
Cell parameters: 12.4428; 27.623; 13.2015; 90; 92.073; 90;  

COD ID: 4132004
CIF file Formula: - C19 H22 O6 -
Comments: Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E. Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade. Journal of the American Chemical Society 140(8) (2018) 3091-3102
Space group: P 1 n 1
Cell volume: 858.7
Cell parameters: 4.7391; 12.8346; 14.2014; 90; 96.2262; 90;  

COD ID: 4132005
CIF file Formula: - C32 H25 Cl2 F N O3 P Pd S -
Comments: Chen, Xiao-Yang; Sorensen, Erik J. Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups. Journal of the American Chemical Society 140(8) (2018) 2789-2792
Space group: P 1 21/c 1
Cell volume: 2972.6
Cell parameters: 12.7112; 14.8397; 15.9385; 90; 98.6077; 90;  

COD ID: 4132006
CIF file Formula: - C70 H81.6 Cl4 Fe N10 O15.8 -
Comments: Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society 140(30) (2018) 9426-9433
Space group: P 1 21/c 1
Cell volume: 7342.5
Cell parameters: 20.3631; 28.602; 12.6388; 90; 94.0855; 90;  

COD ID: 4132007
CIF file Formula: - C70 H81.6 Cl4 Fe N10 O15.8 -
Comments: Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society 140(30) (2018) 9426-9433
Space group: P 1 21/c 1
Cell volume: 7205.68
Cell parameters: 20.1522; 28.5668; 12.54945; 90; 94.1381; 90;  

COD ID: 4132008
CIF file Formula: - C70.78 H83.12 Cl4 N10 O15.78 Zn -
Comments: Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society 140(30) (2018) 9426-9433
Space group: P 1 21/c 1
Cell volume: 7389.1
Cell parameters: 20.4333; 28.681; 12.643; 90; 94.243; 90;  

COD ID: 4132009
CIF file Formula: - C70 H81.6 Cl4 Fe N10 O15.8 -
Comments: Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence. Journal of the American Chemical Society 140(30) (2018) 9426-9433
Space group: P 1 21/c 1
Cell volume: 7480.9
Cell parameters: 20.566; 28.5805; 12.7724; 90; 94.822; 90;  

COD ID: 4132010
CIF file Formula: - C13 H19 Br F6 O2 -
Comments: Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society 140(12) (2018) 4344-4353
Space group: P 1 21/n 1
Cell volume: 1547.7
Cell parameters: 7.071; 21.45; 10.258; 90; 95.885; 90;  

COD ID: 4132011
CIF file Formula: - C17 H21 I N2 O7 -
Comments: Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society 140(12) (2018) 4344-4353
Space group: P 1 21/c 1
Cell volume: 1962.14
Cell parameters: 18.1478; 6.6216; 17.9704; 90; 114.684; 90;  

COD ID: 4132012
CIF file Formula: - C10 H13 F12 N O3 -
Comments: Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society 140(12) (2018) 4344-4353
Space group: P -1
Cell volume: 791.84
Cell parameters: 9.5076; 9.6913; 9.753; 103.771; 91.642; 113.628;  

COD ID: 4132013
CIF file Formula: - C32 H34 N6 O5 -
Comments: An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells. Journal of the American Chemical Society 140(14) (2018) 4860-4868
Space group: P 1 21/n 1
Cell volume: 2966.1
Cell parameters: 11.8321; 13.4953; 19.2839; 90; 105.58; 90;  

COD ID: 4132014
CIF file Formula: - C22 H18 N6 O -
Comments: An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells. Journal of the American Chemical Society 140(14) (2018) 4860-4868
Space group: P 1 21/n 1
Cell volume: 1818.28
Cell parameters: 18.7948; 5.1334; 21.0251; 90; 116.317; 90;  

COD ID: 4132015
CIF file Formula: - C2 H11 I4 N5 Pb -
Comments: Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V. Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature. Journal of the American Chemical Society 140(11) (2018) 3850-3853
Space group: C 1 2/m 1
Cell volume: 4678.8
Cell parameters: 26.948; 12.8189; 14.408; 90; 109.941; 90;  

COD ID: 4132016
CIF file Formula: - C44 H60 Fe N2 -
Comments: Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J. Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts. Journal of the American Chemical Society 140(9) (2018) 3443-3453
Space group: P 42
Cell volume: 1859.93
Cell parameters: 13.4351; 13.4351; 10.3042; 90; 90; 90;  

COD ID: 4132017
CIF file Formula: - C33 H48 Fe N2 -
Comments: Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J. Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts. Journal of the American Chemical Society 140(9) (2018) 3443-3453
Space group: P 1 21/n 1
Cell volume: 3002.7
Cell parameters: 10.8062; 18.8852; 15.2388; 90; 105.087; 90;  

COD ID: 4132018
CIF file Formula: - C13 H16 O3 -
Comments: Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H. Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions. Journal of the American Chemical Society 140(10) (2018) 3523-3527
Space group: P 21 21 2
Cell volume: 1161.09
Cell parameters: 28.7833; 7.6635; 5.2638; 90; 90; 90;  

COD ID: 4132019
CIF file Formula: - C79.21 H97.21 Cl0.63 N O15 -
Comments: Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H. Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions. Journal of the American Chemical Society 140(10) (2018) 3523-3527
Space group: P 1 21 1
Cell volume: 14632.7
Cell parameters: 15.7236; 33.2669; 27.9753; 90; 90.4715; 90;  

COD ID: 4132020
CIF file Formula: - C91 H60 Mn N4 O -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4271.09
Cell parameters: 14.2326; 15.8893; 21.2641; 95.728; 105.042; 109.927;  

COD ID: 4132021
CIF file Formula: - C91 H59 Mn N4 O -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4226.02
Cell parameters: 14.1236; 15.7359; 21.2624; 94.8197; 105.143; 109.402;  

COD ID: 4132022
CIF file Formula: - C97 H65 Mn N4 O -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4284.67
Cell parameters: 14.2994; 16.0576; 21.14; 95.3261; 105.447; 110.607;  

COD ID: 4132023
CIF file Formula: - C96.08 H64.66 F0.85 Mn0.71 N4 O0.71 -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4246.68
Cell parameters: 14.1015; 15.8829; 21.2236; 95.5849; 104.613; 109.579;  

COD ID: 4132024
CIF file Formula: - C91 H59 Cl Mn N4 -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4299.1
Cell parameters: 14.4058; 15.7896; 21.3052; 95.599; 105.387; 109.867;  

COD ID: 4132025
CIF file Formula: - C91 H59 Mn N4 O -
Comments: Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. Journal of the American Chemical Society 140(12) (2018) 4380-4390
Space group: P -1
Cell volume: 4268.74
Cell parameters: 14.1337; 15.8214; 21.3618; 95.3238; 104.934; 109.415;  

COD ID: 4132026
CIF file Formula: - C19 H14 F5 N O -
Comments: Xiong, Peng; Xu, He-Huan; Song, Jinshuai; Xu, Hai-Chao Electrochemical Difluoromethylarylation of Alkynes. Journal of the American Chemical Society 140(7) (2018) 2460-2464
Space group: P -1
Cell volume: 797.9
Cell parameters: 7.923; 9.918; 10.534; 84.008; 79.819; 79.127;  

COD ID: 4132027
CIF file Formula: - C72 H160 Mo8 N4 O28 -
Comments: Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society 140(14) (2018) 4869-4876
Space group: P 1 21/c 1
Cell volume: 4928.1
Cell parameters: 13.0401; 22.315; 16.9829; 90; 94.276; 90;  

COD ID: 4132028
CIF file Formula: - C164 H120 B4 F16 N40 O24 Pd4 S3 -
Comments: Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society 140(14) (2018) 4869-4876
Space group: P 1 21/m 1
Cell volume: 10786.9
Cell parameters: 16.7178; 34.1498; 18.9986; 90; 96.009; 90;  

COD ID: 4132029
CIF file Formula: - C128 H96 B4 F16 N40 O24 Pd4 -
Comments: Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis. Journal of the American Chemical Society 140(14) (2018) 4869-4876
Space group: P 1 21/n 1
Cell volume: 25722
Cell parameters: 18.388; 36.235; 38.605; 90; 90.18; 90;  

COD ID: 4132030
CIF file Formula: - C36 H38 F24 Mo2 O10 -
Comments: Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society 140(8) (2018) 2797-2800
Space group: P 1 21/n 1
Cell volume: 4666.7
Cell parameters: 10.8549; 17.272; 25.326; 90; 100.638; 90;  

COD ID: 4132031
CIF file Formula: - C24 H25 F12 Mo O4 P -
Comments: Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society 140(8) (2018) 2797-2800
Space group: P -1
Cell volume: 1398.2
Cell parameters: 10.1656; 10.6334; 14.9661; 89.0887; 71.4763; 66.749;  

COD ID: 4132032
CIF file Formula: - C52 H78 Cl Mo O3 P -
Comments: Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex. Journal of the American Chemical Society 140(8) (2018) 2797-2800
Space group: P 1 21/c 1
Cell volume: 10348.4
Cell parameters: 18.003; 24.0118; 23.9393; 90; 90.302; 90;  

COD ID: 4132033
CIF file Formula: - C90.67 H44 B12 Ni0.67 O32.67 Zr6 -
Comments: Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K. Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests. Journal of the American Chemical Society 140(11) (2018) 3871-3875
Space group: P 6/m m m
Cell volume: 21963
Cell parameters: 38.555; 38.555; 17.0605; 90; 90; 120;  

COD ID: 4132034
CIF file Formula: - C13 H24 B N O4 -
Comments: Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline Synthesis and Applications of Unquaternized C-Bound Boron Enolates. Journal of the American Chemical Society 140(10) (2018) 3537-3541
Space group: P 1 21/c 1
Cell volume: 1447.16
Cell parameters: 8.1648; 16.1293; 11.1095; 90; 98.45; 90;  

COD ID: 4132035
CIF file Formula: - C30 H30 N4 -
Comments: Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer. Journal of the American Chemical Society 140(18) (2018) 5934-5947
Space group: P 1 21/c 1
Cell volume: 1147.12
Cell parameters: 10.3038; 16.368; 7.0296; 90; 104.63; 90;  

COD ID: 4132036
CIF file Formula: - C86 H106 N6 Na O11 Zr -
Comments: Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer. Journal of the American Chemical Society 140(18) (2018) 5934-5947
Space group: P -1
Cell volume: 3825.8
Cell parameters: 15.0083; 16.9522; 17.9794; 87.08; 65.452; 67.926;  

COD ID: 4132037
CIF file Formula: - C38 H30 N4 O2 -
Comments: Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping Solvatomechanical Bending of Organic Charge Transfer Cocrystal. Journal of the American Chemical Society 140(20) (2018) 6186-6189
Space group: C 1 2/m 1
Cell volume: 1453.5
Cell parameters: 13.039; 14.398; 7.8109; 90; 97.6; 90;  

COD ID: 4132038
CIF file Formula: - C51.83 H52.66 Cl9.72 N Sb0.98 -
Comments: Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society 140(13) (2018) 4649-4655
Space group: P 1 21/c 1
Cell volume: 5301.6
Cell parameters: 11.5521; 24.1457; 19.7738; 90; 106.01; 90;  

COD ID: 4132039
CIF file Formula: - C106 H99 Cl13 N2 Sb2 -
Comments: Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society 140(13) (2018) 4649-4655
Space group: P -1
Cell volume: 4842
Cell parameters: 17.484; 18.351; 18.671; 110.418; 104.903; 108.597;  

COD ID: 4132040
CIF file Formula: - C128.76 H137.19 Cl14.9 N2 O2.73 Sb2 -
Comments: Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society 140(13) (2018) 4649-4655
Space group: C 1 2/c 1
Cell volume: 11898.6
Cell parameters: 32.3774; 12.2907; 29.9008; 90; 90.309; 90;  

COD ID: 4132041
CIF file Formula: - C199.77 H195.32 N4 -
Comments: Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. Journal of the American Chemical Society 140(13) (2018) 4649-4655
Space group: P 1 21/n 1
Cell volume: 15618.2
Cell parameters: 21.4102; 30.3917; 25.3832; 90; 108.985; 90;  

COD ID: 4132042
CIF file Formula: - C128.45 H146.48 Br4.81 I12 N24 Zn6 -
Comments: Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L. Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs. Journal of the American Chemical Society 140(15) (2018) 4986-4990
Space group: C 1 2 1
Cell volume: 15876.4
Cell parameters: 35.1167; 14.8989; 30.9479; 90; 101.33; 90;  

COD ID: 4132043
CIF file Formula: - C18 H19 N3 O4 -
Comments: Liu, Zhen; Ni, Hui-Qi; Zeng, Tian; Engle, Keary M. Catalytic Carbo- and Aminoboration of Alkenyl Carbonyl Compounds via Five- and Six-Membered Palladacycles. Journal of the American Chemical Society 140(9) (2018) 3223-3227
Space group: P 1 21/c 1
Cell volume: 1767.7
Cell parameters: 17.388; 5.0944; 20.83; 90; 106.664; 90;  

COD ID: 4132044
CIF file Formula: - C42 H57 F N O2 P Pd -
Comments: Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society 140(14) (2018) 4893-4904
Space group: P -1
Cell volume: 1787.5
Cell parameters: 10.566; 12.3759; 14.7842; 107.368; 101.454; 94.717;  

COD ID: 4132045
CIF file Formula: - C30 H45 F N O2 P Pd -
Comments: Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society 140(14) (2018) 4893-4904
Space group: P 1 21/c 1
Cell volume: 2915.9
Cell parameters: 8.2454; 16.806; 21.3582; 90; 99.868; 90;  

COD ID: 4132046
CIF file Formula: - C38 H57 F N O2 P Pd -
Comments: Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F. Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds. Journal of the American Chemical Society 140(14) (2018) 4893-4904
Space group: P -1
Cell volume: 1687.6
Cell parameters: 11.1182; 11.9143; 14.2549; 70.103; 73.8; 77.068;  

COD ID: 4132047
CIF file Formula: - C45 H33 B Cl2 F20 Ir P -
Comments: Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides. Journal of the American Chemical Society 140(20) (2018) 6308-6316
Space group: P -1
Cell volume: 2249.4
Cell parameters: 10.1418; 14.6984; 15.9199; 74.683; 80.155; 83.512;  

COD ID: 4132048
CIF file Formula: - C H5 I3 N2 Pb0.743 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P 4 b m
Cell volume: 523.91
Cell parameters: 9.0452; 9.0452; 6.4036; 90; 90; 90;  

COD ID: 4132049
CIF file Formula: - C H0 I3 N2 Pb0.755 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P 4/m b m
Cell volume: 523.91
Cell parameters: 9.0452; 9.0452; 6.4036; 90; 90; 90;  

COD ID: 4132050
CIF file Formula: - C2 H10 I2 N2 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: I 1 2/m 1
Cell volume: 400.06
Cell parameters: 15.54; 5.0795; 5.0964; 90; 96.032; 90;  

COD ID: 4132051
CIF file Formula: - C H5 I3 N2 Pb0.96 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: A m m 2
Cell volume: 516.1
Cell parameters: 6.3652; 9.002; 9.0065; 90; 90; 90;  

COD ID: 4132052
CIF file Formula: - C2 H12 I4 N2 O2 Pb -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: C 1 2/m 1
Cell volume: 746.5
Cell parameters: 16.492; 4.7532; 10.4165; 90; 113.907; 90;  

COD ID: 4132053
CIF file Formula: - C H6 I3 N Pb0.815 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P 4 m m
Cell volume: 255.1
Cell parameters: 6.343; 6.343; 6.34; 90; 90; 90;  

COD ID: 4132054
CIF file Formula: - C H0 I3 N Pb0.818 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P m -3 m
Cell volume: 255.1
Cell parameters: 6.342; 6.342; 6.342; 90; 90; 90;  

COD ID: 4132055
CIF file Formula: - C H0 I3 N Pb0.854 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P m -3 m
Cell volume: 254.09
Cell parameters: 6.3338; 6.3338; 6.3338; 90; 90; 90;  

COD ID: 4132056
CIF file Formula: - C H0 I3 N2 Pb0.946 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P m -3 m
Cell volume: 258.02
Cell parameters: 6.3663; 6.3663; 6.3663; 90; 90; 90;  

COD ID: 4132057
CIF file Formula: - C H6 I3 N Pb0.847 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: P 4 m m
Cell volume: 254.09
Cell parameters: 6.3361; 6.3361; 6.329; 90; 90; 90;  

COD ID: 4132058
CIF file Formula: - C19 H17 N O -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: P 1 21 1
Cell volume: 1394.55
Cell parameters: 12.3598; 8.1021; 14.4042; 90; 104.805; 90;  

COD ID: 4132059
CIF file Formula: - C55 H55 Cl3 N2 Ni -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: P 1 21 1
Cell volume: 4617.47
Cell parameters: 13.46881; 23.5381; 14.6728; 90; 96.9576; 90;  

COD ID: 4132060
CIF file Formula: - C49 H48 N2 -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: P 21 21 21
Cell volume: 3889.1
Cell parameters: 11.672; 18.1421; 18.3663; 90; 90; 90;  

COD ID: 4132061
CIF file Formula: - C59 H52 Au Cl N2 -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: C 2 2 21
Cell volume: 5598.72
Cell parameters: 17.77519; 19.4896; 16.16113; 90; 90; 90;  

COD ID: 4132062
CIF file Formula: - C71 H65 Cl N2 Ni -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: P 1 21 1
Cell volume: 5861.77
Cell parameters: 12.34517; 21.7875; 22.0081; 90; 98.0106; 90;  

COD ID: 4132063
CIF file Formula: - C51 H52 Au Cl5 N2 -
Comments: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand. Journal of the American Chemical Society 140(13) (2018) 4489-4493
Space group: C 1 2 1
Cell volume: 2321.68
Cell parameters: 15.8368; 11.3047; 14.2276; 90; 114.29; 90;  

COD ID: 4132064
CIF file Formula: - C26 H43 Fe P -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P 1 21/n 1
Cell volume: 2468.7
Cell parameters: 8.6511; 22.3002; 12.8632; 90; 95.8418; 90;  

COD ID: 4132065
CIF file Formula: - C32 H57 Fe N2 P Si -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P 1 21/c 1
Cell volume: 6722.2
Cell parameters: 15.6114; 26.303; 16.3706; 90; 90.023; 90;  

COD ID: 4132066
CIF file Formula: - C29 H43 Fe N2 P Si -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P -1
Cell volume: 1389
Cell parameters: 10.3308; 10.7423; 13.3532; 77.326; 83.547; 74.207;  

COD ID: 4132067
CIF file Formula: - C41.01 H60.01 Fe P Si -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P n m a
Cell volume: 3740.7
Cell parameters: 27.887; 11.5982; 11.5654; 90; 90; 90;  

COD ID: 4132068
CIF file Formula: - C32 H57 Fe P Si -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P 1 21/c 1
Cell volume: 3262.2
Cell parameters: 12.1407; 10.2012; 26.3408; 90; 90.418; 90;  

COD ID: 4132069
CIF file Formula: - C82 H118 Fe2 P2 Si2 -
Comments: Smith, Patrick W.; Tilley, T. Don Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. Journal of the American Chemical Society 140(11) (2018) 3880-3883
Space group: P b c a
Cell volume: 7326.6
Cell parameters: 14.0318; 15.674; 33.3126; 90; 90; 90;  

COD ID: 4132070
CIF file Formula: - C29 H34 N O3 P Pd -
Comments: Zhu, Ru-Yi; Li, Zi-Qi; Park, Han Seul; Senanayake, Chris H.; Yu, Jin-Quan Ligand-Enabled γ-C(sp<sup>3</sup>)-H Activation of Ketones. Journal of the American Chemical Society 140(10) (2018) 3564-3568
Space group: P 1 21/c 1
Cell volume: 2716.8
Cell parameters: 13.9333; 12.3236; 16.8031; 90; 109.674; 90;  

COD ID: 4132071
CIF file Formula: - C18 H10 Au F9 I N3 O4 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P 1 21/n 1
Cell volume: 2406.59
Cell parameters: 8.1391; 18.5972; 16.2536; 90; 101.985; 90;  

COD ID: 4132072
CIF file Formula: - C18 H10 Au F8 I2 N3 O4 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P 1 21/n 1
Cell volume: 2541.94
Cell parameters: 11.0172; 8.4253; 27.8416; 90; 100.394; 90;  

COD ID: 4132073
CIF file Formula: - C31 H23 Au F8 I N3 O4 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P -1
Cell volume: 3408.1
Cell parameters: 9.7482; 18.0342; 20.0241; 92.573; 102.927; 95.368;  

COD ID: 4132074
CIF file Formula: - C14 H10 Au F8 N3 O4 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P 1 21/c 1
Cell volume: 2000.71
Cell parameters: 8.1314; 14.0057; 17.569; 90; 90.71; 90;  

COD ID: 4132075
CIF file Formula: - C16 H9 Au F8 I N3 O4 S3 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P 1 21/c 1
Cell volume: 2351.54
Cell parameters: 14.6761; 10.1045; 16.7196; 90; 108.482; 90;  

COD ID: 4132076
CIF file Formula: - C18 H10 Au Cl F8 I N3 O4 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P 1 21/c 1
Cell volume: 2507.44
Cell parameters: 8.2089; 16.0113; 19.2265; 90; 97.1398; 90;  

COD ID: 4132077
CIF file Formula: - C19 H13 Au F8 I N3 O5 S2 -
Comments: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. Journal of the American Chemical Society 140(12) (2018) 4440-4445
Space group: P -1
Cell volume: 1235.4
Cell parameters: 8.1277; 12.1214; 12.9584; 102.843; 96.108; 91.9896;  

COD ID: 4132078
CIF file Formula: - C87 H66 Cl13 Ir N2 O7 P2 -
Comments: Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M. Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations. Journal of the American Chemical Society 140(13) (2018) 4697-4704
Space group: P 1 21/c 1
Cell volume: 9270.2
Cell parameters: 28.2502; 12.9485; 28.5346; 90; 117.361; 90;  

COD ID: 4132079
CIF file Formula: - C25 H24 Br N O2 -
Comments: Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M. Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations. Journal of the American Chemical Society 140(13) (2018) 4697-4704
Space group: P 21 21 21
Cell volume: 2118.28
Cell parameters: 5.1673; 8.8734; 46.1987; 90; 90; 90;  

COD ID: 4132080
CIF file Formula: - C24 H24 Cl2 N2 O4 -
Comments: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 140(24) (2018) 7519-7525
Space group: P 1 21/n 1
Cell volume: 1083.82
Cell parameters: 5.0689; 35.6007; 6.3931; 90; 110.04; 90;  

COD ID: 4132081
CIF file Formula: - C24 H24 Cl2 N2 O4 -
Comments: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 140(24) (2018) 7519-7525
Space group: P -1
Cell volume: 538.6
Cell parameters: 4.641; 8.2418; 14.425; 79.39; 83.33; 88.51;  

COD ID: 4132082
CIF file Formula: - C22 H6 Br2 F14 N2 O4 -
Comments: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 140(24) (2018) 7519-7525
Space group: P -1
Cell volume: 605.6
Cell parameters: 5.1899; 6.6276; 18.7943; 94.542; 95.57; 108.608;  

COD ID: 4132083
CIF file Formula: - C24 H6 Cl2 F18 N2 O4 -
Comments: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 140(24) (2018) 7519-7525
Space group: P -1
Cell volume: 631.8
Cell parameters: 5.2089; 6.3003; 20.6203; 83.772; 86.99; 69.934;  

COD ID: 4132084
CIF file Formula: - C22 H6 Br2 F14 N2 O4 -
Comments: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 140(24) (2018) 7519-7525
Space group: P 1 21/c 1
Cell volume: 1160.77
Cell parameters: 12.0361; 16.7027; 5.9578; 90; 104.27; 90;  

COD ID: 4132085
CIF file Formula: - C78 H107 K N12 Ni4 O3 -
Comments: Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society 140(14) (2018) 4929-4939
Space group: P -1
Cell volume: 3709.8
Cell parameters: 11.1186; 15.8136; 23.5352; 73.085; 86.315; 69.691;  

COD ID: 4132086
CIF file Formula: - C79 H117 K N6 Ni2 O13 -
Comments: Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society 140(14) (2018) 4929-4939
Space group: P b c m
Cell volume: 7917.6
Cell parameters: 11.2912; 25.8683; 27.1074; 90; 90; 90;  

COD ID: 4132087
CIF file Formula: - C41 H57 N6 Ni2 O2.5 -
Comments: Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society 140(14) (2018) 4929-4939
Space group: P 1 21/c 1
Cell volume: 3887.6
Cell parameters: 17.3032; 14.2469; 17.1692; 90; 113.291; 90;  

COD ID: 4132088
CIF file Formula: - C39 H54 N6 Ni2 O -
Comments: Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society 140(14) (2018) 4929-4939
Space group: C 1 2/c 1
Cell volume: 3654.7
Cell parameters: 18.5261; 16.442; 13.6294; 90; 118.32; 90;  

COD ID: 4132089
CIF file Formula: - C700 H862 N173 O140 P8 -
Comments: Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society 140(15) (2018) 5248-5256
Space group: C 1 2/c 1
Cell volume: 109182
Cell parameters: 64.922; 38.8988; 43.3302; 90; 93.821; 90;  

COD ID: 4132090
CIF file Formula: - C177.96 H221.9 N43.99 O40 P2 -
Comments: Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society 140(15) (2018) 5248-5256
Space group: F d d d :2
Cell volume: 98208
Cell parameters: 24.088; 60.3283; 67.581; 90; 90; 90;  

COD ID: 4132091
CIF file Formula: - C676.5 H419.5 K7 N157.25 O164 P8 -
Comments: Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society 140(15) (2018) 5248-5256
Space group: I 1 2/a 1
Cell volume: 98045
Cell parameters: 43.47; 39.035; 58.398; 90; 98.34; 90;  

COD ID: 4132092
CIF file Formula: - C19 H19 Br F3 N O2 S2 -
Comments: Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules. Journal of the American Chemical Society 140(14) (2018) 4782-4786
Space group: P 1 21 1
Cell volume: 1024.59
Cell parameters: 10.193; 7.5099; 13.7839; 90; 103.819; 90;  

COD ID: 4132093
CIF file Formula: - C18 H18 F4 S -
Comments: Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules. Journal of the American Chemical Society 140(14) (2018) 4782-4786
Space group: P 21 21 21
Cell volume: 1611.74
Cell parameters: 5.6971; 7.5256; 37.5923; 90; 90; 90;  

COD ID: 4132094
CIF file Formula: - C16 H48 Ag Bi Br8 N4 -
Comments: Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society 140(15) (2018) 5235-5240
Space group: C 1 2/m 1
Cell volume: 1854.11
Cell parameters: 27.0451; 8.1328; 8.4296; 90; 90.081; 90;  

COD ID: 4132095
CIF file Formula: - C8 H24 Ag Bi Br7 Cs N2 -
Comments: Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society 140(15) (2018) 5235-5240
Space group: P 1 21 1
Cell volume: 1208.58
Cell parameters: 8.014; 7.8357; 19.6573; 90; 101.737; 90;  

COD ID: 4132096
CIF file Formula: - C8 H24 Ag Bi Br7 Cs N2 -
Comments: Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society 140(15) (2018) 5235-5240
Space group: P 1 21/m 1
Cell volume: 1253.32
Cell parameters: 8.0848; 7.9801; 19.8422; 90; 101.755; 90;  

COD ID: 4132097
CIF file Formula: - C16 H48 Ag Bi Br8 N4 -
Comments: Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society 140(15) (2018) 5235-5240
Space group: P 1 21/c 1
Cell volume: 1765.97
Cell parameters: 8.1896; 8.0524; 26.779; 90; 90.049; 90;  

COD ID: 4132098
CIF file Formula: - C10 H11 N O4 -
Comments: Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization. Journal of the American Chemical Society 140(15) (2018) 5009-5013
Space group: P 1 21/c 1
Cell volume: 1912.9
Cell parameters: 10.9576; 20.9044; 8.4845; 90; 100.185; 90;  

COD ID: 4132099
CIF file Formula: - C26 H18 N2 O10 -
Comments: Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis. Journal of the American Chemical Society 140(15) (2018) 5257-5263
Space group: P -1
Cell volume: 1145.57
Cell parameters: 7.3408; 11.2168; 14.4712; 102.926; 91.521; 98.753;  

COD ID: 4132100
CIF file Formula: - C26 H23 Br N2 -
Comments: Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis. Journal of the American Chemical Society 140(19) (2018) 6083-6087
Space group: C 1 2 1
Cell volume: 2115.4
Cell parameters: 22.7031; 5.8682; 16.6098; 90; 107.064; 90;  

COD ID: 4132101
CIF file Formula: - C11 H19 Cl N O9 Ru2 -
Comments: Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution. Journal of the American Chemical Society 140(16) (2018) 5326-5329
Space group: P 1 21/n 1
Cell volume: 1747.6
Cell parameters: 8.1385; 11.9075; 18.1107; 90; 95.295; 90;  

COD ID: 4132102
CIF file Formula: - C51 H31 N5 O11 Ru3 -
Comments: Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution. Journal of the American Chemical Society 140(16) (2018) 5326-5329
Space group: P -1
Cell volume: 4356.5
Cell parameters: 8.7321; 21.947; 22.807; 90.743; 93.98; 92.211;  

COD ID: 4132103
CIF file Formula: - C68 H79 N5 O6 -
Comments: Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society 140(14) (2018) 4787-4791
Space group: P c c n
Cell volume: 11919.4
Cell parameters: 43.3239; 25.6455; 10.7279; 90; 90; 90;  

COD ID: 4132104
CIF file Formula: - C63 H63 N11 O7 -
Comments: Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society 140(14) (2018) 4787-4791
Space group: P 1 c 1
Cell volume: 2820.35
Cell parameters: 9.6022; 17.0018; 17.6771; 90; 102.232; 90;  

COD ID: 4132105
CIF file Formula: - C64 H71 N5 O4 -
Comments: Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society 140(14) (2018) 4787-4791
Space group: P -1
Cell volume: 2625.63
Cell parameters: 9.0601; 10.8306; 27.6685; 100.369; 93.561; 99.092;  

COD ID: 4132106
CIF file Formula: - C62 H65 N9 O4 -
Comments: Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society 140(14) (2018) 4787-4791
Space group: P -1
Cell volume: 5293.25
Cell parameters: 11.0999; 20.1467; 24.9074; 84.847; 81.686; 74.103;  

COD ID: 4132107
CIF file Formula: - C67 H62 Cl6 N16 O4 -
Comments: Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M. Efficient Multicomponent Active Template Synthesis of Catenanes. Journal of the American Chemical Society 140(14) (2018) 4787-4791
Space group: P 1 21/c 1
Cell volume: 6595.4
Cell parameters: 16.0021; 20.8606; 20.1134; 90; 100.792; 90;  

COD ID: 4132108
CIF file Formula: - C15 H18 O2 Si -
Comments: Cheng, Biao; Liu, Wenbo; Lu, Zhan Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes. Journal of the American Chemical Society 140(15) (2018) 5014-5017
Space group: C 1 2 1
Cell volume: 1457.4
Cell parameters: 19.379; 5.3296; 15.117; 90; 111.02; 90;  

COD ID: 4132109
CIF file Formula: - C46 H43 Cl2 Fe N3 O2 -
Comments: Cheng, Biao; Liu, Wenbo; Lu, Zhan Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes. Journal of the American Chemical Society 140(15) (2018) 5014-5017
Space group: P 21 21 21
Cell volume: 4084.6
Cell parameters: 10.363; 19.5669; 20.1438; 90; 90; 90;  

COD ID: 4132110
CIF file Formula: - C37 H57 N6 O17.5 P2 -
Comments: Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society 140(18) (2018) 5955-5961
Space group: P -1
Cell volume: 4352.48
Cell parameters: 13.6131; 18.1837; 19.2192; 101.101; 110.003; 92.825;  

COD ID: 4132111
CIF file Formula: - C40 H44 F12 N8 O3 P2 -
Comments: Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society 140(18) (2018) 5955-5961
Space group: P -1
Cell volume: 2155.55
Cell parameters: 8.8956; 11.9078; 21.3431; 87.772; 84.389; 73.354;  

COD ID: 4132112
CIF file Formula: - C34 H32 Cl2 N6 O2 -
Comments: Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society 140(18) (2018) 5955-5961
Space group: P n a 21
Cell volume: 16715.1
Cell parameters: 44.7259; 26.8344; 13.927; 90; 90; 90;  

COD ID: 4132113
CIF file Formula: - C35 H34 N6 O6 S -
Comments: Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers. Journal of the American Chemical Society 140(18) (2018) 5955-5961
Space group: P -1
Cell volume: 2015.52
Cell parameters: 12.3237; 13.4102; 13.7397; 74.526; 85.761; 67.151;  

COD ID: 4132114
CIF file Formula: - C13 H17 Cl O3 S -
Comments: Li, Zhen; Jangra, Harish; Chen, Quan; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones. Journal of the American Chemical Society 140(16) (2018) 5500-5515
Space group: P 1 21/n 1
Cell volume: 2667.16
Cell parameters: 19.6959; 6.9198; 21.5771; 90; 114.912; 90;  


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