Crystallography Open Database
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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 141
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4128777 | CIF | C23 H24 F3 N2 O3 P S | P 21 21 21 | 7.2319; 16.6606; 19.395 90; 90; 90 | 2336.9 | Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H. Enantioselective Imine Reduction Catalyzed by Phosphenium Ions. Journal of the American Chemical Society, 2019, 141, 14083-14088 |
| 4128778 | CIF | C27 H24 F3 N2 O3 P S | P 21 21 21 | 8.7349; 15.7636; 19.3258 90; 90; 90 | 2661 | Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H. Enantioselective Imine Reduction Catalyzed by Phosphenium Ions. Journal of the American Chemical Society, 2019, 141, 14083-14088 |
| 4128779 | CIF | C20 H17 F2 N O2 S | P 21 21 21 | 6.4655; 11.5138; 23.247 90; 90; 90 | 1730.6 | Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H. Enantioselective Imine Reduction Catalyzed by Phosphenium Ions. Journal of the American Chemical Society, 2019, 141, 14083-14088 |
| 4128780 | CIF | C23 H20 F3 N2 O3 P S3 | P 21 21 21 | 7.8209; 14.103; 22.253 90; 90; 90 | 2454.5 | Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H. Enantioselective Imine Reduction Catalyzed by Phosphenium Ions. Journal of the American Chemical Society, 2019, 141, 14083-14088 |
| 4128781 | CIF | C189 H268 Pb4 | P 1 21/n 1 | 18.3288; 23.6315; 20.2841 90; 104.271; 90 | 8514.7 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128782 | CIF | C84 H122 Br2 Pb2 | P 1 21/n 1 | 14.946; 19.052; 28.498 90; 98.929; 90 | 8016 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128783 | CIF | C60 H74 Pb2 | P -1 | 9.1688; 12.7083; 13.0164 64.295; 81.679; 69.572 | 1280.6 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128784 | CIF | C70 H100 O Pb2 Si2 | P 1 21/c 1 | 11.4812; 25.639; 12.8116 90; 114.588; 90 | 3429.3 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128785 | CIF | C66 H90 Br2 Pb2 Si2 | P -1 | 11.3682; 12.7595; 12.9493 94.563; 103.15; 114.102 | 1637.9 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128786 | CIF | C84 H122 Pb2 | C 1 2/c 1 | 20.3372; 18.4518; 38.674 90; 90.3948; 90 | 14512 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128787 | CIF | C84 H122 Br2 Pb2 | C 1 2/c 1 | 14.6489; 26.975; 22.733 90; 105.484; 90 | 8657 | Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P. Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society, 2019, 141, 14370-14383 |
| 4128788 | CIF | C44 H96 Cr Li2 O13 Si4 | P 21 21 21 | 13.826; 20.1133; 20.2739 90; 90; 90 | 5637.9 | Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position. Journal of the American Chemical Society, 2019, 141, 14068-14072 |
| 4128789 | CIF | C20 H48 Cl3 Cr Li5 O9 Si4 | P 1 21/n 1 | 11.1725; 17.4237; 18.9652 90; 90.838; 90 | 3691.5 | Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position. Journal of the American Chemical Society, 2019, 141, 14068-14072 |
| 4128790 | CIF | C40 H88 Cr Li2 O10 Si4 | P b c a | 17.014; 16.181; 18.608 90; 90; 90 | 5122.8 | Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position. Journal of the American Chemical Society, 2019, 141, 14068-14072 |
| 4128791 | CIF | C21 H33 N3 O4.25 S Si | P 1 21 1 | 13.949; 9.712; 19.552 90; 110.621; 90 | 2479.1 | Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives. Journal of the American Chemical Society, 2019, 141, 14411-14420 |
| 4128792 | CIF | C34 H48 N4 O5 S Si | P 1 21 1 | 7.9317; 15.4939; 13.8939 90; 92.123; 90 | 1706.3 | Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives. Journal of the American Chemical Society, 2019, 141, 14411-14420 |
| 4128793 | CIF | C37 H48 N4 O4 S Si | P 21 21 21 | 7.8618; 17.7249; 27.6554 90; 90; 90 | 3853.77 | Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives. Journal of the American Chemical Society, 2019, 141, 14411-14420 |
| 4128794 | CIF | C39 H45 N3 O8 | P 21 21 21 | 8.1852; 30.4869; 31.5036 90; 90; 90 | 7861.5 | Boon, Byron A.; Boger, Dale L. Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope. Journal of the American Chemical Society, 2019, 141, 14349-14355 |
| 4128795 | CIF | C39 H47 N3 O9 | P 1 21 1 | 10.6544; 15.3909; 10.7835 90; 96.457; 90 | 1757.07 | Boon, Byron A.; Boger, Dale L. Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope. Journal of the American Chemical Society, 2019, 141, 14349-14355 |
| 4128796 | CIF | C19 H28 O3 | P -1 | 6.678; 9.4722; 13.577 72.958; 83.61; 77.293 | 799.99 | Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David Total Synthesis of Isomalabaricane Triterpenoids. Journal of the American Chemical Society, 2019, 141, 14131-14135 |
| 4128797 | CIF | C31 H54 O3 Si | P 1 21/n 1 | 7.2188; 10.7692; 39.2149 90; 93.005; 90 | 3044.4 | Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David Total Synthesis of Isomalabaricane Triterpenoids. Journal of the American Chemical Society, 2019, 141, 14131-14135 |
| 4128798 | CIF | Li2.33 P Si0.17 | F m -3 m | 5.93927; 5.93927; 5.93927 90; 90; 90 | 209.507 | Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 14200-14209 |
| 4128799 | CIF | Li2.33 P Si0.17 | F m -3 m | 5.9253; 5.9253; 5.9253 90; 90; 90 | 208.03 | Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 14200-14209 |
| 4128800 | CIF | Li2.33 P Si0.17 | F m -3 m | 5.91566; 5.91566; 5.91566 90; 90; 90 | 207.019 | Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 14200-14209 |
| 4128801 | CIF | C38 H32 Cl2 Fe N8 O12 | P 1 21/n 1 | 16.5756; 15.8984; 17.2953 90; 118.081; 90 | 4021.2 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128802 | CIF | C36 H26 As2 Cl2 F12 Fe N8 O2 | P 1 21/n 1 | 16.8192; 15.8059; 17.0759 90; 117.852; 90 | 4013.6 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128803 | CIF | C38 H32 Cl2 Fe N8 O12 | P 1 21/n 1 | 16.3409; 15.5665; 16.8955 90; 117.187; 90 | 3822.9 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128804 | CIF | C36 H26 As2 Cl2 F12 Fe N8 O2 | P 1 21/n 1 | 16.4896; 16.0053; 16.6301 90; 116.615; 90 | 3924 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128805 | CIF | C36 H26 As2 Cl2 F12 Fe N8 O2 | P 1 21/n 1 | 16.5677; 16.0511; 16.6587 90; 116.445; 90 | 3966.5 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128806 | CIF | C36 H26 As2 Cl2 F12 Fe N8 O2 | P 1 21/n 1 | 16.876; 16.172; 17.2329 90; 117.797; 90 | 4160.5 | Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Journal of the American Chemical Society, 2019, 141, 14384-14393 |
| 4128807 | CIF | C19 H17 N O3 | P 1 | 7.6636; 9.5929; 10.8499 86.249; 76.166; 79.11 | 760.39 | Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J. Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer. Journal of the American Chemical Society, 2019, 141, 14136-14141 |
| 4128808 | CIF | C16 H17 N O3 | P 1 21 1 | 8.3815; 22.425; 8.6781 90; 117.675; 90 | 1444.49 | Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J. Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer. Journal of the American Chemical Society, 2019, 141, 14136-14141 |
| 4128809 | CIF | C58 H55 Ir N2 O7 P2 | P 21 21 21 | 14.339; 17.764; 18.92 90; 90; 90 | 4819.3 | Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J. Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer. Journal of the American Chemical Society, 2019, 141, 14136-14141 |
| 4128810 | CIF | C176 H230 Au24 N Pt S18 | P -1 | 16.136; 17.35; 18.583 106.541; 105.313; 90.983 | 4786.1 | Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>. Journal of the American Chemical Society, 2019, 141, 14048-14051 |
| 4128811 | CIF | C158 H178 Au24 Pt S18 | P -1 | 16.134; 17.69; 17.7811 65.139; 64.59; 81.463 | 4156 | Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>. Journal of the American Chemical Society, 2019, 141, 14048-14051 |
| 4128812 | CIF | C208 H298 Au24 N2 Pt S18 | C 1 2/c 1 | 22.837; 34.096; 29.287 90; 90.867; 90 | 22802 | Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>. Journal of the American Chemical Society, 2019, 141, 14048-14051 |
| 4128813 | CIF | C100 H120 B6 F24 N26 O6 Zn3 | P 21 21 2 | 52.6707; 18.785; 17.85193 90; 90; 90 | 17663 | Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A. Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness. Journal of the American Chemical Society, 2019, 141, 14249-14256 |
| 4128814 | CIF | C251 H287 B18 F72 N54 O18 Zn9 | P 21 21 2 | 51.9276; 18.8837; 18.2355 90; 90; 90 | 17881.5 | Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A. Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness. Journal of the American Chemical Society, 2019, 141, 14249-14256 |
| 4128815 | CIF | C98 H114 B3 Co3 F12 N22 O12 | C 1 2 1 | 17.4608; 20.0262; 17.657 90; 113.308; 90 | 5670.3 | Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A. Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness. Journal of the American Chemical Society, 2019, 141, 14249-14256 |
| 4128816 | CIF | C48 H24 O6 | P -1 | 13.0079; 14.5518; 18.7581 67.779; 76.113; 79.561 | 3174.7 | Martínez-Abadía, Marta; Stoppiello, Craig T.; Strutynski, Karol; Lerma-Berlanga, Belén; Martí-Gastaldo, Carlos; Saeki, Akinori; Melle-Franco, Manuel; Khlobystov, Andrei N.; Mateo-Alonso, Aurelio A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons. Journal of the American Chemical Society, 2019, 141, 14403-14410 |
| 4128817 | CIF | C8 H4 Al O7.61 | I m m a | 16.188; 6.624; 13.52 90; 90; 90 | 1449.7 | Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121. Journal of the American Chemical Society, 2019, 141, 14257-14271 |
| 4128818 | CIF | Fe4 N0.42 Se4.48 | I 4/m m m | 3.8605; 3.8605; 15.8008 90; 90; 90 | 235.487 | Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>. Journal of the American Chemical Society, 2019, 141, 13849-13857 |
| 4128819 | CIF | Fe4 N0.48 S0.24 Se4 | I 4/m m m | 3.8528; 3.8528; 15.233 90; 90; 90 | 226.12 | Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>. Journal of the American Chemical Society, 2019, 141, 13849-13857 |
| 4128820 | CIF | C24 H33 N O4 | P 1 21/n 1 | 17.1722; 6.3329; 21.8632 90; 102.144; 90 | 2324.41 | Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights. Journal of the American Chemical Society, 2019, 141, 13812-13821 |
| 4128821 | CIF | C35 H49 N O8 | P 1 n 1 | 16.03406; 5.88869; 18.24264 90; 91.1868; 90 | 1722.09 | Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights. Journal of the American Chemical Society, 2019, 141, 13812-13821 |
| 4128822 | CIF | C77.88 H69.7 B2 Cl N4 | P -1 | 12.0361; 15.2317; 16.9141 94.8002; 102.961; 92.4223 | 3005.3 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128823 | CIF | C66 H55 B2 Cl F4 N4 | P 1 21/c 1 | 19.5364; 16.2465; 18.3739 90; 110.386; 90 | 5466.6 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128824 | CIF | C60 H50 B2 Cl F3 N4 | P -1 | 7.9791; 13.3099; 24.0035 88.605; 82.443; 87.184 | 2523.59 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128825 | CIF | C74 H77 B2 Cl2 N5 | P -1 | 14.2653; 15.3826; 15.3931 96.7682; 99.396; 107.461 | 3128.59 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128826 | CIF | C83.5 H75 B2 Cl N4 | P -1 | 11.6604; 15.3379; 19.2293 72.822; 81.704; 86.546 | 3250.7 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128827 | CIF | C66 H59 B2 Cl F6 N4 O | P 1 21/n 1 | 19.6907; 14.3623; 19.9646 90; 98.5582; 90 | 5583.2 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128828 | CIF | C61 H50 B2 Cl3 F5 N4 | P 1 21/c 1 | 19.0799; 16.0622; 18.6758 90; 110.76; 90 | 5351.9 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128829 | CIF | C60 H51 B2 Cl2 F N4 | P -1 | 7.9297; 13.2859; 23.9485 88.5324; 82.9959; 87.8142 | 2501.84 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128830 | CIF | C60 H53 B2 Cl N4 | P 1 21/n 1 | 11.7205; 28.0408; 15.0652 90; 93.355; 90 | 4942.7 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128831 | CIF | C70.85 H62.7 B2 Cl N4 | P -1 | 12.0725; 15.2456; 15.3727 102.786; 91.599; 93.628 | 2751.1 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128832 | CIF | C61 H50 B2 Cl4 F4 N4 | P 1 21/c 1 | 19.3413; 16.1624; 18.4816 90; 111.136; 90 | 5388.7 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128833 | CIF | C61 H64 B N5 | P -1 | 11.9887; 13.3305; 16.2603 90.7115; 100.257; 101.531 | 2502.4 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128834 | CIF | C54 H47 B2 Cl N4 | P -1 | 13.1184; 13.2082; 25.291 87.7958; 87.8829; 89.479 | 4375.8 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128835 | CIF | C82.5 H71 B2 Cl N4 | P -1 | 12.2016; 15.2052; 17.0465 96.263; 97.224; 92.9468 | 3112 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128836 | CIF | C61 H55 B2 Cl3 N4 | P 1 21/n 1 | 16.2643; 18.3466; 17.5397 90; 99.7639; 90 | 5157.9 | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. Journal of the American Chemical Society, 2019, 141, 13729-13733 |
| 4128837 | CIF | C42 H28 N2 O2 | P 1 21/n 1 | 6.1503; 12.927; 21.54 90; 90.01; 90 | 1712.5 | Li, Yusen; Chen, Qing; Xu, Tiantian; Xie, Zhen; Liu, Jingjuan; Yu, Xiang; Ma, Shengqian; Qin, Tianshi; Chen, Long De Novo Design and Facile Synthesis of 2D Covalent Organic Frameworks: A Two-in-One Strategy. Journal of the American Chemical Society, 2019, 141, 13822-13828 |
| 4128838 | CIF | C28 H35 N O4 | P 1 21/n 1 | 12.73; 8.7313; 20.2583 90; 94.11; 90 | 2245.9 | Owens, Kyle R.; McCowen, Shelby V.; Blackford, Katherine A.; Ueno, Sohei; Hirooka, Yasuo; Weber, Manuel; Sarpong, Richmond Total Synthesis of the Diterpenoid Alkaloid Arcutinidine Using a Strategy Inspired by Chemical Network Analysis. Journal of the American Chemical Society, 2019, 141, 13713-13717 |
| 4128839 | CIF | C22 H19 N5 O | P 1 21/n 1 | 19.4305; 11.3245; 9.1511 90; 95.302; 90 | 2005 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128840 | CIF | C22 H19 N5 O | P -1 | 8.2116; 11.5104; 11.8746 102.001; 105.368; 102.349 | 1014.6 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128841 | CIF | C22 H19 N5 O | P -1 | 7.7119; 8.9111; 14.617 81.906; 78.799; 75.258 | 948.5 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128842 | CIF | C22 H19 N5 O | P 1 21/n 1 | 18.9981; 9.8532; 21.8829 90; 113.219; 90 | 3764.5 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128843 | CIF | C22 H19 N5 O | P 1 21/c 1 | 8.2599; 19.6072; 12.6913 90; 116.545; 90 | 1838.73 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128844 | CIF | C22 H19 N5 O | P 1 21/n 1 | 10.727; 14.4711; 12.705 90; 107.112; 90 | 1884.91 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128845 | CIF | C22 H19 N5 O | P -1 | 8.134; 12.62; 18.059 86.707; 100.094; 83.303 | 1806.9 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128846 | CIF | C22 H19 N5 O | P -1 | 8.5537; 11.3718; 11.5674 65.784; 105.495; 77.315 | 916.89 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128847 | CIF | C22 H19 N5 O | P 1 21/c 1 | 11.3011; 20.8473; 8.10637 90; 98.879; 90 | 1886.95 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128848 | CIF | C22 H19 N5 O | C 1 2/c 1 | 27.938; 8.0817; 22.004 90; 133.55; 90 | 3601 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128849 | CIF | C22 H19 N5 O | C 1 2/c 1 | 27.654; 8.108; 21.934 90; 133.41; 90 | 3573 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128850 | CIF | C23 H23 N5 O2 | P 1 21/n 1 | 8.0458; 22.6024; 11.2097 90; 106.274; 90 | 1956.85 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128851 | CIF | C24 H25 N5 O2 | P -1 | 8.082; 9.258; 15.525 73.338; 89.974; 84.594 | 1107.48 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128852 | CIF | C22 H21 N5 O2 | P 1 21/n 1 | 9.0505; 11.3624; 19.1323 90; 94.954; 90 | 1960.1 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128853 | CIF | C25 H27 N5 O2 | P -1 | 7.772; 11.8319; 12.8267 89.03; 74.293; 82.225 | 1124.8 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128854 | CIF | C26 H29 N5 O2 | P -1 | 8.1145; 12.0611; 12.5401 88.454; 79.842; 76.813 | 1176.1 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128855 | CIF | C26 H29 N5 O2 | P 1 | 8.1676; 11.9112; 12.7014 89.4745; 81.236; 75.9211 | 1184.05 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128856 | CIF | C27 H31 N5 O2 | P -1 | 8.0879; 12.3578; 12.8909 85.722; 77.875; 74.707 | 1214.83 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128857 | CIF | C30 H35 N5 O5 | P -1 | 10.6011; 11.6654; 12.5667 69.035; 86.603; 81.573 | 1435.49 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128858 | CIF | C24 H25 N5 O3 | P -1 | 7.7332; 11.4956; 12.1986 85.299; 84.505; 85.518 | 1073.11 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128859 | CIF | C26 H28 N6 O2 | P -1 | 8.6946; 10.964; 12.9344 77.737; 88.5612; 79.1558 | 1183.21 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128860 | CIF | C26 H27 N5 O2 | P -1 | 8.3929; 11.7452; 12.0347 92.483; 106.415; 97.071 | 1125.52 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128861 | CIF | C23 H21 Cl2 N5 O | P -1 | 8.4961; 10.3766; 12.7043 103.239; 91.904; 94.505 | 1085.37 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128862 | CIF | C26 H27 N5 O2 | P -1 | 9.8533; 11.2079; 11.5743 101.869; 105.813; 105.56 | 1129.91 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128863 | CIF | C26 H29 N5 O2 | P -1 | 8.184; 12.0219; 12.6533 89.543; 81.238; 75.349 | 1189.8 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128864 | CIF | C24 H25 N5 O2 | P -1 | 8.11; 11.6569; 12.7599 90.026; 99.248; 101.238 | 1167.15 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128865 | CIF | C24 H23 N5 O3 | P -1 | 9.5331; 10.9792; 11.6291 66.668; 65.944; 78.915 | 1019.9 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128866 | CIF | C25 H27 N5 O2 | P -1 | 8.048; 11.4825; 12.8727 89.28; 80.416; 79.313 | 1152.4 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128867 | CIF | C27 H28 N5 O2 | P -1 | 8.5823; 11.0257; 12.7778 101.925; 92.429; 97.579 | 1169.7 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128868 | CIF | C26 H27 N5 O2 | P 1 21/c 1 | 12.1495; 8.4511; 20.111 90; 93.551; 90 | 2061 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128869 | CIF | C27 H28 N6 O2 | P 1 21/c 1 | 9.966; 33.73; 7.3404 90; 106.892; 90 | 2361 | Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs. Journal of the American Chemical Society, 2019, 141, 13887-13897 |
| 4128870 | CIF | C25 H35 N O3 | P 21 21 21 | 7.2979; 12.0524; 23.9963 90; 90; 90 | 2110.65 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128871 | CIF | C25 H35 N O3 | P 21 21 21 | 11.5553; 21.4201; 26.2735 90; 90; 90 | 6503.1 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128872 | CIF | C19 H28 O4 | P 21 21 21 | 7.1018; 13.3284; 17.4801 90; 90; 90 | 1654.59 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128873 | CIF | C24 H33 N O3 | P 21 21 21 | 7.3364; 11.6884; 23.7649 90; 90; 90 | 2037.86 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128874 | CIF | C18 H22 O4 | P 21 21 21 | 7.644; 13.4193; 14.4712 90; 90; 90 | 1484.41 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128875 | CIF | C20 H28 N O2.5 | C 2 2 21 | 12.1921; 15.8104; 17.6415 90; 90; 90 | 3400.61 | Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine. Journal of the American Chemical Society, 2019, 141, 13718-13723 |
| 4128876 | CIF | C23.25 H20.5 F2 N2 O5 | P 1 21/c 1 | 12.9425; 8.5046; 19.818 90; 96.031; 90 | 2169.3 | Wang, Xin-Gang; Li, Yuke; Liu, Hong-Chao; Zhang, Bo-Sheng; Gou, Xue-Ya; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min Three-Component Ruthenium-Catalyzed Direct <i>Meta-</i>Selective C-H Activation of Arenes: A New Approach to the Alkylarylation of Alkenes. Journal of the American Chemical Society, 2019, 141, 13914-13922 |
| 4128877 | CIF | C19 H38 N3 Sc | P n a 21 | 21.47; 12.655; 7.559 90; 90; 90 | 2053.8 | Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner Trimethylscandium. Journal of the American Chemical Society, 2019, 141, 13931-13940 |
| 4128878 | CIF | C19 H55 Al4 Sc3 | P 1 21/n 1 | 9.9815; 40.493; 15.7504 90; 91.391; 90 | 6364.1 | Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner Trimethylscandium. Journal of the American Chemical Society, 2019, 141, 13931-13940 |
| 4128879 | CIF | C24 H42 Al Sc | P -1 | 11.21; 14.35; 14.56 84.12; 89.11; 88.79 | 2329 | Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner Trimethylscandium. Journal of the American Chemical Society, 2019, 141, 13931-13940 |
| 4128880 | CIF | C18 H39 Al2 Sc | P 21 21 21 | 14.335; 16.914; 54.801 90; 90; 90 | 13287 | Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner Trimethylscandium. Journal of the American Chemical Society, 2019, 141, 13931-13940 |
| 4128881 | CIF | C15 H45 Al4 Sc | P 1 21/n 1 | 7.3336; 19.8137; 17.4587 90; 95.903; 90 | 2523.4 | Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner Trimethylscandium. Journal of the American Chemical Society, 2019, 141, 13931-13940 |
| 4128882 | CIF | C18 H20 O2 | P 21 21 21 | 7.43535; 12.70493; 15.2334 90; 90; 90 | 1439.03 | Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters. Journal of the American Chemical Society, 2019, 141, 13783-13787 |
| 4128883 | CIF | C19 H17 F3 O2 | P 21 21 21 | 9.81945; 10.42071; 15.41623 90; 90; 90 | 1577.48 | Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters. Journal of the American Chemical Society, 2019, 141, 13783-13787 |
| 4128884 | CIF | C312 H160 N20 O60 Zn21 | P m -3 m | 43.4917; 43.4917; 43.4917 90; 90; 90 | 82266 | Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks. Journal of the American Chemical Society, 2019, 141, 13841-13848 |
| 4128885 | CIF | C128 H80 N4 O32 Zr6 | P m -3 m | 27.4034; 27.4034; 27.4034 90; 90; 90 | 20578.5 | Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks. Journal of the American Chemical Society, 2019, 141, 13841-13848 |
| 4128886 | CIF | C27 H32 F N S | C 2 2 21 | 9.9111; 19.1719; 24.772 90; 90; 90 | 4707.04 | Roth, Aaron; Denmark, Scott E. Enantioselective, Lewis Base-Catalyzed, Intermolecular Sulfenoamination of Alkenes. Journal of the American Chemical Society, 2019, 141, 13767-13771 |
| 4128887 | CIF | C30 H102 Ba Cu6 N6 O56 S3 | P 63 | 17.9066; 17.9066; 13.218 90; 90; 120 | 3670.48 | Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water. Journal of the American Chemical Society, 2019, 141, 13601-13609 |
| 4128888 | CIF | C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4 | P 63 | 17.969; 17.969; 12.949 90; 90; 120 | 3620.9 | Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water. Journal of the American Chemical Society, 2019, 141, 13601-13609 |
| 4128889 | CIF | C30 H100 Ca Cu6 N6 O55 S3 | P 63 | 17.7932; 17.7932; 12.7581 90; 90; 120 | 3498 | Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water. Journal of the American Chemical Society, 2019, 141, 13601-13609 |
| 4128890 | CIF | C15 H20 N4 O3 | P 1 21 1 | 10.1878; 7.9625; 19.59 90; 99.557; 90 | 1567.1 | Glachet, Thomas; Marzag, Hamid; Saraiva Rosa, Nathalie; Colell, Johannes F. P.; Zhang, Guannan; Warren, Warren S.; Franck, Xavier; Theis, Thomas; Reboul, Vincent Iodonitrene in Action: Direct Transformation of Amino Acids into Terminal Diazirines and <sup>15</sup>N<sub>2</sub>-Diazirines and Their Application as Hyperpolarized Markers. Journal of the American Chemical Society, 2019, 141, 13689-13696 |
| 4128891 | CIF | C125.82 H130.19 B Cl2.45 Fe4 N3 O1.27 P3 S4 | P 1 21/c 1 | 22.6783; 19.0664; 27.5418 90; 106.247; 90 | 11433.3 | Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M. A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates. Journal of the American Chemical Society, 2019, 141, 13330-13335 |
| 4128892 | CIF | C130 H141 B Fe4 N3 O2 P3 S4 | P 1 21/n 1 | 16.597; 30.822; 22.933 90; 95.023; 90 | 11686 | Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M. A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates. Journal of the American Chemical Society, 2019, 141, 13330-13335 |
| 4128893 | CIF | C80 H183 Mo2 N5 O60 Te W16 | R -3 :H | 44.713; 44.713; 47.217 90; 90; 120 | 81752 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128894 | CIF | C22 H119 Mo3 N11 Na O96 Se2 W21 | P n m a | 20.577; 21.446; 25.391 90; 90; 90 | 11205 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128895 | CIF | C20 H113 Mo3 N10 Na2 O96 P2 W21 | P n m a | 35.244; 21.9528; 15.0516 90; 90; 90 | 11645.5 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128896 | CIF | C22 H120 Mo3 N11 Na O96 P Te W21 | P n m a | 35.22; 22.1684; 15.0386 90; 90; 90 | 11741.7 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128897 | CIF | C14 H79 Mo2 N7 O70 Te W16 | R -3 m :H | 21.1678; 21.1678; 15.6954 90; 90; 120 | 6090.5 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128898 | CIF | C14 H79 Mo2 N7 O70 Se W16 | R -3 m :H | 21.169; 21.169; 15.8379 90; 90; 120 | 6146.5 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128899 | CIF | C20 H112 Mo2 N10 Na O96 P Se W22 | P a -3 | 22.557; 22.557; 22.557 90; 90; 90 | 11477.4 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128900 | CIF | C14 H90 Mo2 N7 O75 P W16 | R -3 m :H | 21.5987; 21.5987; 13.9195 90; 90; 120 | 5623.5 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128901 | CIF | C32 H161 Mo4 N16 O117 P3 W26 | C m c e | 21.7592; 26.906; 25.728 90; 90; 90 | 15063 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128902 | CIF | C60 H291 Mo4 N30 Na O251 Se7 W62 | P -1 | 17.7735; 20.1721; 22.3319 99.133; 102.654; 96.166 | 7628.6 | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486 |
| 4128903 | CIF | C33 H40 B F4 Fe O4 P | P -1 | 9.9636; 12.7003; 13.9821 80.831; 69.746; 70.594 | 1563.6 | Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C. Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes. Journal of the American Chemical Society, 2019, 141, 13336-13340 |
| 4128904 | CIF | C19 H22 B F4 Fe O2 P | P b c a | 13.826; 16.6549; 17.2897 90; 90; 90 | 3981.3 | Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C. Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes. Journal of the American Chemical Society, 2019, 141, 13336-13340 |
| 4128905 | CIF | C18 H21 N O6 | P 21 21 21 | 8.605; 19.697; 30.793 90; 90; 90 | 5219 | Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P. Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis. Journal of the American Chemical Society, 2019, 141, 13625-13634 |
| 4128906 | CIF | C16 H15 I N2 O4 | P 1 21 1 | 9.094; 7.248; 11.749 90; 96.62; 90 | 769.3 | Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P. Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis. Journal of the American Chemical Society, 2019, 141, 13625-13634 |
| 4128907 | CIF | C32 H16 N8 O16 Zr3 | P n n m | 30.977; 20.52; 22.213 90; 90; 90 | 14120 | Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 13654-13663 |
| 4128908 | CIF | C64 Cl22 N16 Ni14 O47 Zr6 | P n n m | 31.4535; 19.638; 21.9912 90; 90; 90 | 13583.6 | Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 13654-13663 |
| 4128909 | CIF | C32 H16 Br5 N8 Ni3 O26 Zr3 | P n n m | 31.698; 18.59; 22.055 90; 90; 90 | 12996 | Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 13654-13663 |
| 4128910 | CIF | C32 H16 N8 O16 Zr3 | P n n m | 31.368; 19.703; 22.4548 90; 90; 90 | 13878 | Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 13654-13663 |
| 4128911 | CIF | C87 H88 O11 | P 1 21/n 1 | 13.5456; 35.6442; 15.5089 90; 107.09; 90 | 7157.4 | Li, Qi; Zhu, Huangtianzhi; Huang, Feihe Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals. Journal of the American Chemical Society, 2019, 141, 13290-13294 |
| 4128912 | CIF | C85 H80 O10 | P 1 21/n 1 | 13.7735; 34.9942; 15.597 90; 107.447; 90 | 7171.79 | Li, Qi; Zhu, Huangtianzhi; Huang, Feihe Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals. Journal of the American Chemical Society, 2019, 141, 13290-13294 |
| 4128913 | CIF | C87 H86 O10 | P 1 21/n 1 | 13.9839; 35.7918; 15.4191 90; 108.881; 90 | 7302.1 | Li, Qi; Zhu, Huangtianzhi; Huang, Feihe Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals. Journal of the American Chemical Society, 2019, 141, 13290-13294 |
| 4128914 | CIF | C81 H62 O10 | P b c a | 12.7437; 31.7874; 32.5089 90; 90; 90 | 13169 | Li, Qi; Zhu, Huangtianzhi; Huang, Feihe Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals. Journal of the American Chemical Society, 2019, 141, 13290-13294 |
| 4128915 | CIF | C40 H76 O5 S Si3 | P 1 21 1 | 9.5103; 34.984; 21.4829 90; 101.519; 90 | 7003.6 | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. Journal of the American Chemical Society, 2019, 141, 13352-13357 |
| 4128916 | CIF | C14 H16 O4 S | P 1 21/n 1 | 7.048; 10.4797; 18.4167 90; 97.094; 90 | 1349.86 | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. Journal of the American Chemical Society, 2019, 141, 13352-13357 |
| 4128917 | CIF | C12 H18 O S | P 21 21 21 | 5.843; 10.9977; 17.5865 90; 90; 90 | 1130.1 | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. Journal of the American Chemical Society, 2019, 141, 13352-13357 |
| 4128918 | CIF | C16 H15 N O4 S | P -1 | 7.6475; 8.1332; 13.0597 105.357; 102.201; 97.465 | 750.56 | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. Journal of the American Chemical Society, 2019, 141, 13352-13357 |
| 4128919 | CIF | C23 H21 N O3 | P 21 21 21 | 8.6617; 9.6496; 22.5991 90; 90; 90 | 1888.88 | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. Journal of the American Chemical Society, 2019, 141, 13352-13357 |
| 4128920 | CIF | C5 H6 O3 | P 1 21/c 1 | 6.1911; 7.129; 12.2554 90; 104.026; 90 | 524.78 | McGuire, Thomas M.; Pérale, Cécile; Castaing, Rémi; Kociok-Köhn, Gabriele; Buchard, Antoine Divergent Catalytic Strategies for the <i>Cis</i>/<i>Trans</i> Stereoselective Ring-Opening Polymerization of a Dual Cyclic Carbonate/Olefin Monomer. Journal of the American Chemical Society, 2019, 141, 13301-13305 |
| 4128921 | CIF | C26 H32 Fe O6 | P 1 21 1 | 8.169; 23.029; 12.208 90; 91.379; 90 | 2296 | Burns, Alexander S.; Rychnovsky, Scott D. Total Synthesis and Structure Revision of (-)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of <i>Illicium simonsii</i>. Journal of the American Chemical Society, 2019, 141, 13295-13300 |
| 4128922 | CIF | Co4 K3.5 Li1.5 Na O126.5 P5 W30 | I m m a | 52.0499; 21.5528; 26.1891 90; 90; 90 | 29379.5 | Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M. Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density. Journal of the American Chemical Society, 2019, 141, 4553-4557 |
| 4128923 | CIF | Co4 K3.5 Li1.5 Na O126.5 P5 W30 | I m m a | 52.037; 21.5548; 26.1839 90; 90; 90 | 29369.1 | Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M. Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density. Journal of the American Chemical Society, 2019, 141, 4553-4557 |
| 4128924 | CIF | C35 H35 F12 N11 O0.25 P2 | P 1 21/m 1 | 8.5334; 16.264; 14.678 90; 100.31; 90 | 2004.2 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128925 | CIF | C35 H37 F12 N9 O2 P2 | P -1 | 8.8999; 11.193; 20.76 99.53; 90.06; 105.42 | 1963.9 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128926 | CIF | C37 H43 N9 O10 | P b c a | 11.481; 22.243; 29.998 90; 90; 90 | 7661 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128927 | CIF | C31 H48 N9 O15.5 P2 | P -1 | 12.547; 18.324; 18.364 114.49; 103.77; 91.72 | 3692.1 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128928 | CIF | C34 H35.5 N10.5 O8 S2 | P -1 | 8.2235; 13.8316; 16.8675 99.887; 90.596; 102.897 | 1840 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128929 | CIF | C31 H39 N9 O11 P2 | P 1 21/c 1 | 18.1882; 20.6048; 9.6072 90; 104.356; 90 | 3488 | Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Excimer Disaggregation Enhanced Emission: A Fluorescence "Turn-On" Approach to Oxoanion Recognition. Journal of the American Chemical Society, 2019, 141, 4597-4612 |
| 4128930 | CIF | C68 H87 Au2 F6 N5 O5 S3 | P -1 | 15.082; 17.405; 17.968 66.38; 80.662; 80.269 | 4235.9 | Mulks, Florian F.; Antoni, Patrick W.; Gross, Jürgen H; Graf, Jürgen; Rominger, Frank; Hashmi, A Stephen K 1,1-Digoldallylium Complexes: Diaurated Allylic Carbocations Indicate New Prospects of the Coordination Chemistry of Carbon. Journal of the American Chemical Society, 2019, 141, 4687-4695 |
| 4128931 | CIF | C20 H31 Co | P 1 21/n 1 | 8.07; 8.4605; 12.8684 90; 93.611; 90 | 876.86 | Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C. Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation. Journal of the American Chemical Society, 2019, 141, 4721-4729 |
| 4128932 | CIF | C21 H33 Co | P 1 21/c 1 | 12.8973; 9.6767; 15.1146 90; 92.956; 90 | 1883.84 | Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C. Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation. Journal of the American Chemical Society, 2019, 141, 4721-4729 |
| 4128933 | CIF | C33 H42 N2 O2 Si | P 1 21 1 | 25.919; 9.9765; 26.3509 90; 112.699; 90 | 6286.1 | Han, Ye-Qiang; Ding, Yi; Zhou, Tao; Yan, Sheng-Yi; Song, Hong; Shi, Bing-Feng Pd(II)-Catalyzed Enantioselective Alkynylation of Unbiased Methylene C(sp<sup>3</sup>)-H Bonds Using 3,3'-Fluorinated-BINOL as a Chiral Ligand. Journal of the American Chemical Society, 2019, 141, 4558-4563 |
| 4128934 | CIF | C123 H170 N21 O27 Zn4 | P -1 | 16.1706; 19.1783; 22.1386 89.034; 72.865; 80.624 | 6469.8 | Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L. Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly. Journal of the American Chemical Society, 2019, 141, 4749-4755 |
| 4128935 | CIF | C103 H127 N14 O19 Zn4 | P 1 2/n 1 | 21.5925; 12.2482; 41.9139 90; 96.438; 90 | 11015 | Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L. Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly. Journal of the American Chemical Society, 2019, 141, 4749-4755 |
| 4128936 | CIF | C246 H328 Co2 N38 O52 Zn8 | P 1 21/n 1 | 16.7237; 21.2669; 39.8228 90; 92.307; 90 | 14151.9 | Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L. Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly. Journal of the American Chemical Society, 2019, 141, 4749-4755 |
| 4128937 | CIF | C240 H334 N34 O44 Zn8 | P -1 | 15.7704; 19.0494; 22.544 67.594; 84.711; 76.268 | 6082.3 | Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L. Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly. Journal of the American Chemical Society, 2019, 141, 4749-4755 |
| 4128938 | CIF | C16 H22 Br4 N4 O4 Pb | P 1 21/c 1 | 21.2912; 19.4228; 11.7888 90; 97.29; 90 | 4835.7 | Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R. (4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite. Journal of the American Chemical Society, 2019, 141, 4521-4525 |
| 4128939 | CIF | C16 H22 I4 N4 O4 Pb | P 1 21/c 1 | 21.0976; 19.8255; 12.6149 90; 98.2252; 90 | 5222.16 | Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R. (4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite. Journal of the American Chemical Society, 2019, 141, 4521-4525 |
| 4128940 | CIF | C11 H14 Cl N O2 | P 1 21 1 | 10.848; 4.7553; 11.5172 90; 111.111; 90 | 554.25 | Gao, Tao-Tao; Zhang, Wen-Wen; Sun, Xin; Lu, Hou-Xiang; Li, Bi-Jie Stereodivergent Synthesis through Catalytic Asymmetric Reversed Hydroboration. Journal of the American Chemical Society, 2019, 141, 4670-4677 |
| 4128941 | CIF | C24 H19 Br2 N O2 | R -3 c :H | 17.3148; 17.3148; 37.394 90; 90; 120 | 9708.8 | Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly. Journal of the American Chemical Society, 2019, 141, 4536-4540 |
| 4128942 | CIF | C12 H8 Br2 | P 1 21/n 1 | 7.8747; 11.6377; 11.6249 90; 107.095; 90 | 1018.28 | Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly. Journal of the American Chemical Society, 2019, 141, 4536-4540 |
| 4128943 | CIF | C24 H22 Br N O2 | P -1 | 8.5392; 8.8043; 15.5739 74.124; 89.573; 65.84 | 1020.2 | Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly. Journal of the American Chemical Society, 2019, 141, 4536-4540 |
| 4128944 | CIF | C15 H11 Br2 N O2 | P 1 21 1 | 9.102; 6.967; 10.962 90; 91.026; 90 | 695 | Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly. Journal of the American Chemical Society, 2019, 141, 4536-4540 |
| 4128945 | CIF | C87 H62 Cl7 Ir N2 O5 P2 | P -1 | 11.7853; 14.6123; 22.8572 98.446; 92.842; 91.763 | 3885.88 | Isomura, Mayuko; Petrone, David A.; Carreira, Erick M. Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols. Journal of the American Chemical Society, 2019, 141, 4738-4748 |
| 4128946 | CIF | C18 H15 Cl N2 O6 | P 1 | 9.9297; 13.7671; 14.1998 64.113; 87.206; 89.732 | 1744 | Isomura, Mayuko; Petrone, David A.; Carreira, Erick M. Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols. Journal of the American Chemical Society, 2019, 141, 4738-4748 |
| 4128947 | CIF | C17 H27 N O4 | P 1 21/c 1 | 8.03546; 17.81899; 11.97478 90; 96.1556; 90 | 1704.71 | Isomura, Mayuko; Petrone, David A.; Carreira, Erick M. Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols. Journal of the American Chemical Society, 2019, 141, 4738-4748 |
| 4128948 | CIF | C66 H50 F24 N16 O4 P4 Ru2 | P 1 21 1 | 12.4658; 16.2947; 21.744 90; 97.257; 90 | 4381.4 | Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P. Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide. Journal of the American Chemical Society, 2019, 141, 4644-4652 |
| 4128949 | CIF | C64 H44 F24 N14 P4 Ru2 | P 1 21 1 | 12.5327; 16.3645; 21.809 90; 97.129; 90 | 4438.3 | Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P. Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide. Journal of the American Chemical Society, 2019, 141, 4644-4652 |
| 4128950 | CIF | C64 H44 Cl4 N14 Ru2 | P -1 | 8.3032; 11.378; 18.25 95.542; 92.729; 95.095 | 1706.6 | Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P. Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide. Journal of the American Chemical Society, 2019, 141, 4644-4652 |
| 4128951 | CIF | C12 H15 I O3 | P 1 21/c 1 | 8.4354; 9.8508; 14.8019 90; 99.955; 90 | 1211.45 | Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A. The Total Synthesis of Chalcitrin. Journal of the American Chemical Society, 2019, 141, 4515-4520 |
| 4128952 | CIF | C11 H8 Br I O3 | P 1 21/c 1 | 10.8432; 9.263; 11.9112 90; 108.277; 90 | 1136.01 | Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A. The Total Synthesis of Chalcitrin. Journal of the American Chemical Society, 2019, 141, 4515-4520 |
| 4128953 | CIF | C12 H8 Br I O4 | P 1 21/c 1 | 12.0937; 11.9771; 8.4124 90; 91.644; 90 | 1218.01 | Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A. The Total Synthesis of Chalcitrin. Journal of the American Chemical Society, 2019, 141, 4515-4520 |
| 4128954 | CIF | C43.5 H44.75 F18 Fe N8.25 O0.75 P2 | P 21 21 21 | 12.8763; 15.3531; 24.2529 90; 90; 90 | 4794.58 | Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis. Journal of the American Chemical Society, 2019, 141, 4569-4572 |
| 4128955 | CIF | C108 H110 O4 | C 1 2/c 1 | 19.1455; 17.5082; 24.5014 90; 102.237; 90 | 8026.4 | Ikai, Tomoyuki; Yoshida, Takumu; Shinohara, Ken-Ichi; Taniguchi, Tsuyoshi; Wada, Yuya; Swager, Timothy M. Triptycene-Based Ladder Polymers with One-Handed Helical Geometry. Journal of the American Chemical Society, 2019, 141, 4696-4703 |
| 4128956 | CIF | C26.5 H26 Cl N5 O2 | P -1 | 10.9283; 13.7142; 17.0369 86.6245; 85.0011; 67.4709 | 2348.64 | Gallagher, Nolan; Zhang, Hui; Junghoefer, Tobias; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Pink, Maren; Rajca, Suchada; Casu, Maria Benedetta; Rajca, Andrzej Thermally and Magnetically Robust Triplet Ground State Diradical. Journal of the American Chemical Society, 2019, 141, 4764-4774 |
| 4128957 | CIF | C17 H29 Cl2 N3 Ni S2 | P b c n | 14.5632; 12.3263; 23.3463 90; 90; 90 | 4190.9 | Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites. Journal of the American Chemical Society, 2019, 141, 15338-15347 |
| 4128958 | CIF | C17 H24 F3 N3 Ni S2 | P 1 21/c 1 | 12.698; 15.104; 10.542 90; 100.076; 90 | 1990.7 | Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites. Journal of the American Chemical Society, 2019, 141, 15338-15347 |
| 4128959 | CIF | C22 H32 B F4 Fe N3 Ni O3 S2 | P 1 21/c 1 | 19.8354; 9.975; 13.3013 90; 100.622; 90 | 2586.67 | Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites. Journal of the American Chemical Society, 2019, 141, 15338-15347 |
| 4128960 | CIF | C22 H28 B Cl2 F7 Fe N2 Ni O S2 | P 1 21/c 1 | 8.0122; 31.7923; 11.9134 90; 107.146; 90 | 2899.8 | Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites. Journal of the American Chemical Society, 2019, 141, 15338-15347 |
| 4128961 | CIF | C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 | P c c n | 11.3768; 22.6888; 24.5582 90; 90; 90 | 6339.1 | Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites. Journal of the American Chemical Society, 2019, 141, 15338-15347 |
| 4128962 | CIF | C24 H24 Br2 O2 | P 1 21 1 | 11.3708; 4.6026; 20.5978 90; 94.029; 90 | 1075.33 | Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V. Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives. Journal of the American Chemical Society, 2019, 141, 15367-15377 |
| 4128963 | CIF | C27 H34 Br2 Co N O P | P 1 21 1 | 11.0641; 22.4546; 11.081 90; 99.705; 90 | 2713.6 | Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V. Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives. Journal of the American Chemical Society, 2019, 141, 15367-15377 |
| 4128964 | CIF | C19 H15 F6 N4 O2 P Ru | P 21 21 21 | 11.7237; 13.3153; 13.7472 90; 90; 90 | 2146 | Jung, Hoimin; Schrader, Malte; Kim, Dongwook; Baik, Mu-Hyun; Park, Yoonsu; Chang, Sukbok Harnessing Secondary Coordination Sphere Interactions That Enable the Selective Amidation of Benzylic C-H Bonds. Journal of the American Chemical Society, 2019, 141, 15356-15366 |
| 4128965 | CIF | C69 H90 Ag2 F6 O14 | P -1 | 12.1081; 14.8255; 21.7369 104.402; 94.961; 111.996 | 3433.43 | Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes. Journal of the American Chemical Society, 2019, 141, 15008-15012 |
| 4128966 | CIF | C59 H70 Ag2 F6 O14 | P 1 21/n 1 | 16.5674; 20.0237; 17.998 90; 92.654; 90 | 5964.3 | Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes. Journal of the American Chemical Society, 2019, 141, 15008-15012 |
| 4128967 | CIF | C18 H30 F12 Fe N6 Sb2 | P 1 21/n 1 | 19.573; 8.226; 19.595 90; 117.913; 90 | 2787.9 | Dantignana, Valeria; Serrano-Plana, Joan; Draksharapu, Apparao; Magallón, Carla; Banerjee, Saikat; Fan, Ruixi; Gamba, Ilaria; Guo, Yisong; Que, Jr, Lawrence; Costas, Miquel; Company, Anna Spectroscopic and Reactivity Comparisons between Nonheme Oxoiron(IV) and Oxoiron(V) Species Bearing the Same Ancillary Ligand. Journal of the American Chemical Society, 2019, 141, 15078-15091 |
| 4128968 | CIF | C28 H30 Cl17 Co N5 | P 1 21/c 1 | 13.6143; 18.8932; 18.3407 90; 109.406; 90 | 4449.5 | Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J. Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides. Journal of the American Chemical Society, 2019, 141, 15327-15337 |
| 4128969 | CIF | C23 H26 Co N5 | P -1 | 8.6432; 11.3302; 11.4891 105.192; 92.884; 107.735 | 1023.8 | Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J. Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides. Journal of the American Chemical Society, 2019, 141, 15327-15337 |
| 4128970 | CIF | C27 H40 Co F4 N P2 | P -1 | 8.2188; 11.2255; 16.4158 84.354; 76.854; 69.023 | 1376.85 | Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J. Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity. Journal of the American Chemical Society, 2019, 141, 15378-15389 |
| 4128971 | CIF | C27 H40 Co F4 N P2 | P 1 21/n 1 | 18.7044; 13.913; 23.4016 90; 98.928; 90 | 6016.1 | Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J. Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity. Journal of the American Chemical Society, 2019, 141, 15378-15389 |
| 4128972 | CIF | C96 H108 B2 Mn2 N10 O4 S2 | P -1 | 11.5009; 13.9207; 15.136 75.533; 75.25; 69.812 | 2164.2 | Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A. How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity. Journal of the American Chemical Society, 2019, 141, 15046-15057 |
| 4128973 | CIF | C46 H64 F12 Mn2 N10 O5 P2 S2 | P 1 21/c 1 | 10.1676; 22.3787; 12.3719 90; 96.825; 90 | 2795.1 | Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A. How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity. Journal of the American Chemical Society, 2019, 141, 15046-15057 |
| 4128974 | CIF | Cu2 I2 Se6 | R -3 m :H | 14.031; 14.031; 14.0046 90; 90; 120 | 2387.69 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128975 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.766; 13.766; 13.2315 90; 90; 120 | 2171.48 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128976 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.4668; 13.4668; 12.6496 90; 90; 120 | 1986.72 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128977 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.3353; 13.3353; 12.4394 90; 90; 120 | 1915.74 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128978 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.2862; 13.2862; 12.3717 90; 90; 120 | 1891.31 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128979 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.9856; 12.9856; 12.4479 90; 90; 120 | 1817.82 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128980 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.8911; 12.8911; 12.33 90; 90; 120 | 1774.49 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128981 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.8125; 12.8125; 12.2065 90; 90; 120 | 1735.36 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128982 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.0793; 13.0793; 11.1844 90; 90; 120 | 1656.96 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128983 | CIF | Cu2 I2 Se6 | R -3 m :H | 13.0111; 13.0111; 11.0956 90; 90; 120 | 1626.71 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128984 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.939; 12.939; 10.9066 90; 90; 120 | 1581.3 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128985 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.8949; 12.8949; 10.7489 90; 90; 120 | 1547.9 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128986 | CIF | Cu2 I2 Se6 | R -3 m :H | 12.7831; 12.7831; 10.596 90; 90; 120 | 1499.5 | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. Journal of the American Chemical Society, 2019, 141, 15174-15182 |
| 4128987 | CIF | C21 H22 Br2 N2 Ni O2 | P 21 21 21 | 8.9454; 11.7746; 20.35 90; 90; 90 | 2143.4 | Yin, Haolin; Fu, Gregory C. Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex. Journal of the American Chemical Society, 2019, 141, 15433-15440 |
| 4128988 | CIF | C21 H22 Br N2 Ni O2 | P 21 21 21 | 9.457; 13.597; 15.622 90; 90; 90 | 2008.8 | Yin, Haolin; Fu, Gregory C. Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex. Journal of the American Chemical Society, 2019, 141, 15433-15440 |
| 4128989 | CIF | C55 H51 Br N2 Ni O3 | P 21 21 21 | 9.754; 17.1117; 26.83 90; 90; 90 | 4478.1 | Yin, Haolin; Fu, Gregory C. Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex. Journal of the American Chemical Society, 2019, 141, 15433-15440 |
| 4128990 | CIF | C38 H55 Fe P3 Si | P 1 21/n 1 | 13.2918; 16.122; 17.053 90; 93.901; 90 | 3645.8 | Citek, Cooper; Oyala, Paul H.; Peters, Jonas C. Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes. Journal of the American Chemical Society, 2019, 141, 15211-15221 |
| 4128991 | CIF | C70 H68 B F24 Fe P3 Si | P 1 21/n 1 | 12.847; 38.23; 14.423 90; 92.285; 90 | 7078 | Citek, Cooper; Oyala, Paul H.; Peters, Jonas C. Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes. Journal of the American Chemical Society, 2019, 141, 15211-15221 |
| 4128992 | CIF | C37.83 H56.75 Cl0.08 Fe P3 Si | P 1 21/n 1 | 13.2971; 16.145; 17.0059 90; 92.999; 90 | 3645.9 | Citek, Cooper; Oyala, Paul H.; Peters, Jonas C. Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes. Journal of the American Chemical Society, 2019, 141, 15211-15221 |
| 4128993 | CIF | C39 H57 F3 Fe O3 P3 S Si | P 21 21 21 | 13.173; 15.284; 20.312 90; 90; 90 | 4090 | Citek, Cooper; Oyala, Paul H.; Peters, Jonas C. Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes. Journal of the American Chemical Society, 2019, 141, 15211-15221 |
| 4128994 | CIF | C39 H38 N14 O6 | P 1 21/c 1 | 11.6451; 21.3404; 14.8565 90; 95.918; 90 | 3672.33 | de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R. Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand. Journal of the American Chemical Society, 2019, 141, 15102-15110 |
| 4128995 | CIF | C39 H36 N12 | C 1 2/c 1 | 41.1586; 11.1026; 14.8734 90; 98.864; 90 | 6715.49 | de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R. Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand. Journal of the American Chemical Society, 2019, 141, 15102-15110 |
| 4128996 | CIF | C43 H42 N20 Nd O18 | P -1 | 12.163; 12.2694; 17.6357 94.394; 92.077; 95.134 | 2611.1 | de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R. Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand. Journal of the American Chemical Society, 2019, 141, 15102-15110 |
| 4128997 | CIF | C86 H88 Er3 N43 O47 | P -1 | 14.3372; 17.1271; 25.2207 89.822; 74.953; 83.091 | 5934.7 | de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R. Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand. Journal of the American Chemical Society, 2019, 141, 15102-15110 |
| 4128998 | CIF | C30 H53 Li2 N6 O P | P 21 21 21 | 10.77; 10.98; 28.973 90; 90; 90 | 3426 | Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation. Journal of the American Chemical Society, 2019, 141, 15024-15028 |
| 4128999 | CIF | C32 H57 Li2 N6 O2 P | P 21 21 21 | 14.958; 15.579; 30.593 90; 90; 90 | 7129 | Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation. Journal of the American Chemical Society, 2019, 141, 15024-15028 |
| 4129000 | CIF | C106 H111 Cl3 O8 | P 1 21/n 1 | 12.4631; 22.4492; 30.1 90; 91.654; 90 | 8418.1 | Nishigaki, Shuhei; Shibata, Yu; Nakajima, Atsuya; Okajima, Hajime; Masumoto, Yui; Osawa, Taisei; Muranaka, Atsuya; Sugiyama, Haruki; Horikawa, Ayano; Uekusa, Hidehiro; Koshino, Hiroyuki; Uchiyama, Masanobu; Sakamoto, Akira; Tanaka, Ken Synthesis of Belt- and Möbius-Shaped Cycloparaphenylenes by Rhodium-Catalyzed Alkyne Cyclotrimerization. Journal of the American Chemical Society, 2019, 141, 14955-14960 |
| 4129001 | CIF | C16 H19 N3 | P 21 21 21 | 6.2514; 7.289; 29.77 90; 90; 90 | 1356.5 | Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide. Journal of the American Chemical Society, 2019, 141, 14966-14970 |
| 4129002 | CIF | C47 H33 N3 S2 | P 1 21/c 1 | 9.2363; 8.7977; 45.59 90; 106.45; 90 | 3552.9 | Niu, Guangle; Zheng, Xiuli; Zhao, Zheng; Zhang, Haoke; Wang, Jianguo; He, Xuewen; Chen, Yuncong; Shi, Xiujuan; Ma, Chao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Wang, Pengfei; Tang, Ben Zhong Functionalized Acrylonitriles with Aggregation-Induced Emission: Structure Tuning by Simple Reaction-Condition Variation, Efficient Red Emission, and Two-Photon Bioimaging. Journal of the American Chemical Society, 2019, 141, 15111-15120 |
| 4129003 | CIF | C47 H64 Co N3 | P b c a | 17.4002; 20.7307; 23.4789 90; 90; 90 | 8469.3 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129004 | CIF | C37 H49 N O | P b c m | 10.9033; 12.0359; 25.14 90; 90; 90 | 3299.1 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129005 | CIF | C47 H64 Co I2 N | P c a 21 | 23.0483; 14.029; 27.3737 90; 90; 90 | 8851.1 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129006 | CIF | C53 H74 Co N | P 1 21/n 1 | 17.8319; 13.874; 19.914 90; 105.928; 90 | 4737.6 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129007 | CIF | C65 H79 Co N P | P 1 21/c 1 | 13.5984; 17.629; 23.0085 90; 90.367; 90 | 5515.6 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129008 | CIF | C47 H65 Co N O | P b c a | 17.3101; 20.4836; 23.4544 90; 90; 90 | 8316.3 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129009 | CIF | C47 H64 Co N3 O | P b c a | 17.4228; 20.6348; 23.3437 90; 90; 90 | 8392.4 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129010 | CIF | C60 H89 Co N2 O2 Si2 | P b c a | 18.4221; 17.1331; 36.3469 90; 90; 90 | 11472.1 | Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society, 2019, 141, 15003-15007 |
| 4129011 | CIF | C41 H39 Cl4 N O2 P2 Pt | P 1 21/c 1 | 13.5872; 13.3149; 22.6201 90; 103.353; 90 | 3981.62 | Kanbayashi, Naoya; Okamura, Taka-Aki; Onitsuka, Kiyotaka Living Cyclocopolymerization through Alternating Insertion of Isocyanide and Allene via Controlling the Reactivity of the Propagation Species: Detailed Mechanistic Investigation. Journal of the American Chemical Society, 2019, 141, 15307-15317 |
| 4129012 | CIF | C112 H138 B2 N10 Si4 | P b c n | 23.3425; 17.6797; 24.6828 90; 90; 90 | 10186.3 | Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W. A Stable Aromatic Tetrasilacyclobutadiene Dication. Journal of the American Chemical Society, 2019, 141, 14987-14990 |
| 4129013 | CIF | C113.34 H138.02 B2 N10 Si4 | P b c n | 23.0452; 17.8779; 25.1244 90; 90; 90 | 10351.2 | Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W. A Stable Aromatic Tetrasilacyclobutadiene Dication. Journal of the American Chemical Society, 2019, 141, 14987-14990 |
| 4129014 | CIF | C112 H140 B2 N8 O Si4 | P b c n | 23.2625; 17.5096; 24.5181 90; 90; 90 | 9986.6 | Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W. A Stable Aromatic Tetrasilacyclobutadiene Dication. Journal of the American Chemical Society, 2019, 141, 14987-14990 |
| 4129015 | CIF | C49 H41 Cu O3 P2 | P 1 21/c 1 | 13.1535; 18.2025; 17.8085 90; 107.602; 90 | 4064.2 | van Vliet, Kaj M.; Polak, Lara H.; Siegler, Maxime A.; van der Vlugt, Jarl Ivar; Guerra, Célia Fonseca; de Bruin, Bas Efficient Copper-Catalyzed Multicomponent Synthesis of <i>N-</i>Acyl Amidines via Acyl Nitrenes. Journal of the American Chemical Society, 2019, 141, 15240-15249 |
| 4129016 | CIF | C189 H162 Au13 Cl3 F12 N18 P2 | P -1 | 17.019; 19.261; 28.579 93.223; 100.749; 90.782 | 9187 | Narouz, Mina R.; Takano, Shinjiro; Lummis, Paul A.; Levchenko, Tetyana I.; Nazemi, Ali; Kaappa, Sami; Malola, Sami; Yousefalizadeh, Goonay; Calhoun, Larry A.; Stamplecoskie, Kevin G.; Häkkinen, Hannu; Tsukuda, Tatsuya; Crudden, Cathleen M. Robust, Highly Luminescent Au<sub>13</sub> Superatoms Protected by N-Heterocyclic Carbenes. Journal of the American Chemical Society, 2019, 141, 14997-15002 |
| 4129017 | CIF | C17 H23 Br N O7.5 | P n a 21 | 12.858; 10.2977; 29 90; 90; 90 | 3839.8 | Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J. Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate. Journal of the American Chemical Society, 2019, 141, 15018-15023 |
| 4129018 | CIF | C27 H43 N3 Si3 V | P -1 | 10.8676; 12.3856; 12.9182 115.312; 95.615; 97.369 | 1536.12 | Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A. Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities. Journal of the American Chemical Society, 2019, 141, 15230-15239 |
| 4129019 | CIF | C27 H43.44 N3 Si3 V | P -1 | 10.8649; 12.4225; 13.0617 115.202; 96.239; 96.088 | 1562.8 | Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A. Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities. Journal of the American Chemical Society, 2019, 141, 15230-15239 |
| 4129020 | CIF | C29 H37 N3 Si2 V | P 1 21/c 1 | 15.9192; 9.2597; 19.7266 90; 91.164; 90 | 2907.2 | Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A. Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities. Journal of the American Chemical Society, 2019, 141, 15230-15239 |
| 4129021 | CIF | C8 H12 Cl N | P c a 21 | 17.5887; 5.0205; 10.2381 90; 90; 90 | 904.07 | Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A. Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities. Journal of the American Chemical Society, 2019, 141, 15230-15239 |
| 4129022 | CIF | C32 H61 Co3 O24 | P n n a | 28.714; 21.1265; 10.946 90; 90; 90 | 6640.1 | Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin; Zhang, Yue-Biao; Telfer, Shane G. A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification. Journal of the American Chemical Society, 2019, 141, 5014-5020 |
| 4129023 | CIF | C19 H26 O5 | P 21 21 21 | 6.3267; 8.6439; 29.68 90; 90; 90 | 1623.12 | Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation. Journal of the American Chemical Society, 2019, 141, 4849-4860 |
| 4129024 | CIF | C23 H34 O7 | P 1 21 1 | 7.36657; 9.85708; 14.2852 90; 94.3143; 90 | 1034.35 | Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation. Journal of the American Chemical Society, 2019, 141, 4849-4860 |
| 4129025 | CIF | C24 H31 N O | P 1 21 1 | 10.883; 14.071; 13.651 90; 105.587; 90 | 2013.6 | Xu, Jiasu; Rawal, Viresh H. Total Synthesis of (-)-Ambiguine P. Journal of the American Chemical Society, 2019, 141, 4820-4823 |
| 4129026 | CIF | C95.44 H136.52 Cl0.37 N6 O5.82 P | P -1 | 16.1688; 18.0527; 18.8483 63.1338; 76.4813; 68.8934 | 4561.9 | Zhao, Wei; Qiao, Bo; Tropp, Joshua; Pink, Maren; Azoulay, Jason D.; Flood, Amar H. Linear Supramolecular Polymers Driven by Anion-Anion Dimerization of Difunctional Phosphonate Monomers Inside Cyanostar Macrocycles. Journal of the American Chemical Society, 2019, 141, 4980-4989 |
| 4129027 | CIF | C47 H45 Au Cl3 N4 Ni P | P -1 | 12.7696; 13.2248; 15.5398 98.656; 107.333; 113.731 | 2180.75 | Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position. Journal of the American Chemical Society, 2019, 141, 4800-4805 |
| 4129028 | CIF | C48.5 H45 N4 Ni O P | P b c a | 16.4476; 24.3351; 40.0869 90; 90; 90 | 16044.9 | Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position. Journal of the American Chemical Society, 2019, 141, 4800-4805 |
| 4129029 | CIF | C91 H83 Cl3 N8 Ni2 P2 | P -1 | 16.0007; 16.1997; 17.7476 100.329; 115.508; 101.094 | 3891.7 | Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position. Journal of the American Chemical Society, 2019, 141, 4800-4805 |
| 4129030 | CIF | C23 H30 O4 | P 1 21 1 | 7.8235; 8.2819; 16.211 90; 96.355; 90 | 1043.91 | Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols. Journal of the American Chemical Society, 2019, 141, 5021-5033 |
| 4129031 | CIF | C23 H30 O4 | P 21 21 21 | 6.7003; 14.5512; 20.4826 90; 90; 90 | 1997 | Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols. Journal of the American Chemical Society, 2019, 141, 5021-5033 |
| 4129032 | CIF | C19 H22 O | P 21 21 21 | 5.0118; 9.3269; 32.56 90; 90; 90 | 1522 | Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols. Journal of the American Chemical Society, 2019, 141, 5021-5033 |
| 4129033 | CIF | C22 H17 I O | P -1 | 11.4777; 11.7014; 15.3255 97.482; 90.147; 118.95 | 1780.65 | Hu, Zhifei; Tang, Yu; Yu, Biao Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism. Journal of the American Chemical Society, 2019, 141, 4806-4810 |
| 4129034 | CIF | C14 H13 I O | P b c n | 22.1638; 15.0475; 7.499 90; 90; 90 | 2501 | Hu, Zhifei; Tang, Yu; Yu, Biao Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism. Journal of the American Chemical Society, 2019, 141, 4806-4810 |
| 4129035 | CIF | C36 H36 O10 | P 1 21 1 | 10.7002; 23.8506; 22.5203 90; 98.085; 90 | 5690.2 | Hu, Zhifei; Tang, Yu; Yu, Biao Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism. Journal of the American Chemical Society, 2019, 141, 4806-4810 |
| 4129036 | CIF | C8 H4 Cu N4 Ni S4 | P 42/m m c | 6.8132; 6.8132; 16.166 90; 90; 90 | 750.4 | Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R. Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption. Journal of the American Chemical Society, 2019, 141, 5005-5013 |
| 4129037 | CIF | C10 H6 Cu N4 Ni S4 | P 42/m m c | 6.8233; 6.8233; 16.1432 90; 90; 90 | 751.59 | Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R. Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption. Journal of the American Chemical Society, 2019, 141, 5005-5013 |
| 4129038 | CIF | C2.4 H1.81 Cu0.25 N Ni0.25 S | P 42/m m c | 6.8342; 6.8342; 16.0964 90; 90; 90 | 751.8 | Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R. Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption. Journal of the American Chemical Society, 2019, 141, 5005-5013 |
| 4129039 | CIF | C10 H15 N O3 S | P 1 21 1 | 9.491; 6.116; 9.9296 90; 101.54; 90 | 564.73 | Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua 4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization. Journal of the American Chemical Society, 2019, 141, 4928-4935 |
| 4129040 | CIF | C13 H13 N O3 S | P 41 21 2 | 8.7471; 8.7471; 32.7688 90; 90; 90 | 2507.2 | Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua 4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization. Journal of the American Chemical Society, 2019, 141, 4928-4935 |
| 4129041 | CIF | C24 H40 Br N2 Ni | P 1 21 1 | 6.8458; 11.2304; 16.4338 90; 99.126; 90 | 1247.46 | Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J. Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals. Journal of the American Chemical Society, 2019, 141, 5034-5044 |
| 4129042 | CIF | C24 H40 Cl N2 Ni | P 1 21 1 | 6.849; 11.091; 32.493 90; 93.69; 90 | 2463.1 | Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J. Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals. Journal of the American Chemical Society, 2019, 141, 5034-5044 |
| 4129043 | CIF | C24 H40 I N2 Ni | P 21 21 21 | 7.7891; 22.175; 28.51 90; 90; 90 | 4924.3 | Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J. Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals. Journal of the American Chemical Society, 2019, 141, 5034-5044 |
| 4129044 | CIF | C24 H40 N2 Ni | P 21 21 2 | 13.0031; 13.3258; 14.169 90; 90; 90 | 2455.16 | Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J. Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals. Journal of the American Chemical Society, 2019, 141, 5034-5044 |
| 4129045 | CIF | C44 H72 Br2 N4 Ni2 | P 1 21 1 | 13.3155; 12.3857; 13.9317 90; 104.318; 90 | 2226.27 | Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J. Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals. Journal of the American Chemical Society, 2019, 141, 5034-5044 |
| 4129046 | CIF | C27 H19 B F2 I N O2 | P 1 21/n 1 | 10.145; 19.61; 11.073 90; 90.77; 90 | 2202.7 | Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water. Journal of the American Chemical Society, 2019, 141, 5045-5050 |
| 4129047 | CIF | C27 H19 B Br F2 N O2 | P 1 21/n 1 | 10.217; 19.415; 10.927 90; 90.86; 90 | 2167.3 | Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water. Journal of the American Chemical Society, 2019, 141, 5045-5050 |
| 4129048 | CIF | Mn2 O7 Y2 | F d -3 m :2 | 9.9099; 9.9099; 9.9099 90; 90; 90 | 973.2 | Todd, Paul K.; Neilson, James R. Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions. Journal of the American Chemical Society, 2019, 141, 1191-1195 |
| 4129049 | CIF | Mn O3.11 Y | P n m a | 5.6452; 7.3942; 5.2218 90; 90; 90 | 217.97 | Todd, Paul K.; Neilson, James R. Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions. Journal of the American Chemical Society, 2019, 141, 1191-1195 |
| 4129050 | CIF | C12 H11 N O3 | P 1 21/c 1 | 8.4738; 14.00094; 11.47243 90; 125.365; 90 | 1109.95 | Lukin, Stipe; Tireli, Martina; Stolar, Tomislav; Barišić, Dajana; Blanco, Maria Valeria; di Michiel, Marco; Užarević, Krunoslav; Halasz, Ivan Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions. Journal of the American Chemical Society, 2019, 141, 1212-1216 |
| 4129051 | CIF | C28 H44 O3 | P 32 | 17.4837; 17.4837; 29.713 90; 90; 120 | 7865.8 | Heinze, Robert C.; Heretsch, Philipp Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B. Journal of the American Chemical Society, 2019, 141, 1222-1226 |
| 4129052 | CIF | C32 H46 O5 | P 21 21 21 | 6.3001; 15.0343; 31.3137 90; 90; 90 | 2965.96 | Heinze, Robert C.; Heretsch, Philipp Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B. Journal of the American Chemical Society, 2019, 141, 1222-1226 |
| 4129074 | CIF | C20 H19 N O5 | P 1 21 1 | 11.3601; 5.8169; 13.5193 90; 107.48; 90 | 852.11 | Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias Synthesis of Benzylic Alcohols by C-H Oxidation. Journal of the American Chemical Society, 2019, 141, 17983-17988 |
| 4129075 | CIF | C18 H15 N O5 | P 32 2 1 | 11.8237; 11.8237; 19.047 90; 90; 120 | 2306.03 | Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias Synthesis of Benzylic Alcohols by C-H Oxidation. Journal of the American Chemical Society, 2019, 141, 17983-17988 |
| 4129083 | CIF | C17 H14 O5 | P 21 21 21 | 5.3944; 18.0328; 29.9372 90; 90; 90 | 2912.18 | Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H. Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products. Journal of the American Chemical Society, 2019, 141, 18551-18559 |
| 4129084 | CIF | C68 H67 N5 Ni O2 | P -1 | 14.9071; 15.8745; 18.8299 94.574; 103.809; 110.373 | 3991.1 | Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops. Journal of the American Chemical Society, 2019, 141, 18500-18507 |
| 4129085 | CIF | C132 H124 N8 Ni2 | P -1 | 15.45; 17.79; 18.18 115.78; 93.59; 114.36 | 3917 | Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops. Journal of the American Chemical Society, 2019, 141, 18500-18507 |
| 4129086 | CIF | C192 H124 N8 Ni2 | P 1 21/n 1 | 15.83; 34.13; 30.67 90; 90.14; 90 | 16570 | Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops. Journal of the American Chemical Society, 2019, 141, 18500-18507 |
| 4129088 | CIF | C20 H23 N3 O3 | P 21 21 21 | 6.3111; 9.3707; 30.764 90; 90; 90 | 1819.4 | Gonçalves, Carlos R; Lemmerer, Miran; Teskey, Christopher J.; Adler, Pauline; Kaiser, Daniel; Maryasin, Boris; González, Leticia; Maulide, Nuno Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles. Journal of the American Chemical Society, 2019, 141, 18437-18443 |
| 4129089 | CIF | C42 H56 Cl2 N2 O10 Ru | P -1 | 10.7706; 12.8085; 15.9271 96.76; 104.61; 94.684 | 2097.2 | Zhu, Jun; Chen, Peng-Hao; Lu, Gang; Liu, Peng; Dong, Guangbin Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study. Journal of the American Chemical Society, 2019, 141, 18630-18640 |
| 4129104 | CIF | C104 H94 Cl12 N10 O4 | P -1 | 15.9672; 17.4963; 19.2176 113.521; 91.756; 98.502 | 4844.7 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129105 | CIF | C52 H49 Cl2 N5 O | P -1 | 8.6711; 15.7062; 16.1757 92.5156; 95.7126; 98.8312 | 2162.12 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129106 | CIF | C51 H47 B Cl3 F2 N5 | P 1 21/n 1 | 9.2009; 23.2963; 21.177 90; 97.172; 90 | 4503.7 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129107 | CIF | C53 H47 Cl10 Cu N5 O2 | P -1 | 12.2842; 14.9772; 16.2006 84.5774; 77.5388; 67.318 | 2685.11 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129108 | CIF | C50 H47 N5 | I 1 2/c 1 | 20.739; 12.7534; 32.675 90; 96.259; 90 | 8590.8 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129109 | CIF | C50 H46 B F2 N5 | P 21 21 21 | 11.90631; 16.82151; 21.0724 90; 90; 90 | 4220.42 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
| 4129110 | CIF | C31.59 H19.8 Al2 N1.2 O9.05 | P 42 21 2 | 19.0466; 19.0466; 36.389 90; 90; 90 | 13200.9 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129111 | CIF | C29 H19.5 Al2 O11.08 P0.5 | P 42 21 2 | 18.7104; 18.7104; 37.1528 90; 90; 90 | 13006.4 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129112 | CIF | C27 H17 Al2 O12.08 S0.86 | P 42 21 2 | 18.1729; 18.1729; 37.6737 90; 90; 90 | 12441.9 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129113 | CIF | C30.05 H17 Al2 N0.56 O10.56 | P 42 21 2 | 18.5778; 18.5778; 37.2977 90; 90; 90 | 12872.7 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129114 | CIF | C29.8 H17.44 Al2 O10.15 S0.36 | P 42 21 2 | 18.4641; 18.4641; 37.4193 90; 90; 90 | 12757.1 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129115 | CIF | C33.75 H23.81 Al2 B0.51 N1.02 O10.21 | P 42 21 2 | 19.2915; 19.2915; 36.081 90; 90; 90 | 13428 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129116 | CIF | C28.98 H18.86 Al2 N2.59 O8.37 | P 42 21 2 | 19.5339; 19.5339; 35.7057 90; 90; 90 | 13624.3 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129117 | CIF | C27.45 H18.55 Al2 O11.03 P0.55 | P 42 21 2 | 18.1702; 18.1702; 37.843 90; 90; 90 | 12494.1 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129118 | CIF | C29.81 H19.81 Al2 N1.87 O8 | P 42 21 2 | 19.4481; 19.4481; 35.7074 90; 90; 90 | 13505.6 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
| 4129119 | CIF | C29.02 H19.04 Al2 N2.07 O9.21 | P 42 21 2 | 18.8135; 18.8135; 36.797 90; 90; 90 | 13024.2 | Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M. Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules. Journal of the American Chemical Society, 2019, 141, 18862-18869 |
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