Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4135572 | CIF | C276 H224 F60 Ir2 N32 O4 P10 Zn4 | P 1 | 23.3169; 27.5437; 27.5621 104.102; 106.303; 107.895 | 15076.1 | August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J A Chiral Cyclometalated Iridium Star of David [2]Catenane. Journal of the American Chemical Society, 2021, 143, 1154-1161 |
| 4135573 | CIF | C276 H224 F60 Ir2 N32 O4 P10 Zn4 | P 1 | 23.1012; 27.4445; 27.498 104.285; 106.658; 107.91 | 14781.4 | August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J A Chiral Cyclometalated Iridium Star of David [2]Catenane. Journal of the American Chemical Society, 2021, 143, 1154-1161 |
| 4135574 | CIF | C13 H13 Br O S | P b c a | 9.4303; 15.891; 16.744 90; 90; 90 | 2509.2 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135575 | CIF | C15 H15 Cl O S | P 1 21/c 1 | 10.25; 15.3411; 8.6672 90; 90.251; 90 | 1362.87 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135576 | CIF | C12 H18 O2 S | P -1 | 9.1402; 15.4595; 19.9824 108.465; 102.614; 98.584 | 2539.8 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135577 | CIF | C25 H22 O3 S2 | P -1 | 10.0613; 10.9059; 20.821 93.349; 90.495; 109.075 | 2154.6 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135578 | CIF | C26 H24 O2 S2 | P 1 21/c 1 | 7.83; 15.4081; 17.9103 90; 92.518; 90 | 2158.71 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135579 | CIF | C17 H19 N O4 S | P c a 21 | 9.2612; 19.9966; 9.1061 90; 90; 90 | 1686.38 | Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement. Journal of the American Chemical Society, 2021, 143, 1216-1223 |
| 4135580 | CIF | C12 H24 I2 O6 Zn | P n m a | 16.072; 28.0305; 8.296 90; 90; 90 | 3737.4 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135581 | CIF | C12 H24 I2 O6 Sr | C 1 2/m 1 | 12.996; 10.864; 8.0507 90; 119.99; 90 | 984.5 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135582 | CIF | C24 H48 Cl6 Mn3 O12 | P 1 21/c 1 | 16.67; 10.642; 25.798 90; 124.63; 90 | 3765.8 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135583 | CIF | C12 H24 I2 Mn O6 | C 1 2/c 1 | 10.871; 12.01; 28.514 90; 94.37; 90 | 3712 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135584 | CIF | C12 H24 Br2 O6 Zn | R 3 :H | 11.5448; 11.5448; 11.934 90; 90; 120 | 1377.5 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135585 | CIF | C12 H24 Eu I2 O6 | C 1 2/m 1 | 12.962; 10.883; 8.0284 90; 120.34; 90 | 977.4 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135586 | CIF | C12 H24 Br2 Eu O6 | R 3 :H | 11.9296; 11.9296; 11.925 90; 90; 120 | 1469.7 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135587 | CIF | C24 H48 I6 Mn3 O12 | P 1 21/n 1 | 17.102; 11.252; 22.748 90; 91.87; 90 | 4375.1 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135588 | CIF | C12 H24 I4 Mn2 O6 | P 21 21 21 | 11.489; 13.075; 16.437 90; 90; 90 | 2469.1 | Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects. Journal of the American Chemical Society, 2021, 143, 798-804 |
| 4135589 | CIF | C68 H112 O16 Si4 | P 21 21 21 | 6.0541; 14.1336; 21.0131 90; 90; 90 | 1798.01 | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704 |
| 4135590 | CIF | C23 H33 O10 Si | P 21 21 21 | 10.13664; 12.97562; 19.3014 90; 90; 90 | 2538.7 | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704 |
| 4135591 | CIF | C23 H33 O8 Si | P 1 21 1 | 9.1922; 11.2207; 11.7369 90; 100.28; 90 | 1191.15 | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704 |
| 4135592 | CIF | C28 H48 O11 Si | P 1 21 1 | 10.7097; 9.3455; 14.909 90; 90.187; 90 | 1492.2 | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704 |
| 4135593 | CIF | C30 H50 O11 Si | P 21 21 21 | 11.95; 16.7458; 31.7086 90; 90; 90 | 6345.28 | Tomanik, Martin; Xu, Zhi; Herzon, Seth B. Enantioselective Synthesis of Euonyminol. Journal of the American Chemical Society, 2021, 143, 699-704 |
| 4135594 | CIF | C45 H51 F6 Fe N10 P | P 21 21 21 | 12.902; 18.4951; 19.1223 90; 90; 90 | 4563 | Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465 |
| 4135595 | CIF | C44.56 H50.56 F6 Fe N8 P | C 1 2/c 1 | 46.429; 16.3087; 23.2775 90; 93.67; 90 | 17589.5 | Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465 |
| 4135596 | CIF | C39 H45 F12 Fe N8 P2 | P 1 21/c 1 | 17.0881; 16.569; 15.2548 90; 94.725; 90 | 4304.5 | Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465 |
| 4135597 | CIF | C167 H184.5 B4 F4 Fe2 N19.5 O | P 1 21/c 1 | 17.57; 18.196; 47.439 90; 98.598; 90 | 14996 | Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex. Journal of the American Chemical Society, 2021, 143, 1458-1465 |
| 4135598 | CIF | C40 H36 O4 Si | P -1 | 8.035; 19.954; 20.955 107.477; 90.378; 98.013 | 3169 | Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650 |
| 4135599 | CIF | C27 H26 Si | P 1 21/a 1 | 10.5521; 24.7884; 16.8422 90; 107.729; 90 | 4196.2 | Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650 |
| 4135600 | CIF | C30 H26 Si | P -1 | 10.3171; 12.986; 17.529 75.678; 85.033; 86.4309 | 2264.9 | Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne. Journal of the American Chemical Society, 2021, 143, 1641-1650 |
| 4135601 | CIF | C H6 N4 O4 | P b c a | 9.5532; 6.3625; 16.3333 90; 90; 90 | 992.77 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135602 | CIF | C H2 N5 Na O4 | P 1 21/c 1 | 11.9484; 3.6295; 14.0899 90; 105.13; 90 | 589.85 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135603 | CIF | C K N5 O3 | P 1 21/n 1 | 6.8957; 11.5328; 7.0382 90; 97.155; 90 | 555.37 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135604 | CIF | C2 H6 N8 O3 | P 1 21/c 1 | 7.4975; 15.4884; 6.6145 90; 94.328; 90 | 765.91 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135605 | CIF | C H4 N6 O3 | P -1 | 6.6353; 6.8575; 7.0924 67.848; 72.382; 80.022 | 284.24 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135606 | CIF | C H4 N6 O4 | F d d 2 | 14.498; 44.396; 3.6494 90; 90; 90 | 2348.9 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135607 | CIF | C H N5 O3 | P 1 21/c 1 | 6.1997; 10.2689; 8.2547 90; 109.477; 90 | 495.45 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135608 | CIF | C2 H4 N2 O4 | P -1 | 7.6411; 7.7969; 8.3332 99.142; 90.045; 103.622 | 475.99 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
| 4135609 | CIF | C51 H82 Bi F9 Li2 N2 O11 S3 | P 1 21/n 1 | 24.689; 9.342; 27.653 90; 98.07; 90 | 6314.9 | Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. Journal of the American Chemical Society, 2021, 143, 1301-1306 |
| 4135610 | CIF | C44.5 H66 F3 N2 O3 S Sb | P 1 21/n 1 | 9.189; 15.33; 32.284 90; 92.02; 90 | 4544.9 | Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. Journal of the American Chemical Society, 2021, 143, 1301-1306 |
| 4135611 | CIF | C36 H56 Cl3 Cr N2 O | C 1 2/c 1 | 29.89; 18.583; 18.248 90; 94.665; 90 | 10102 | Zhao, Lixing; Hu, Chenyang; Cong, Xuefeng; Deng, Gongda; Liu, Liu Leo; Luo, Meiming; Zeng, Xiaoming Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications. Journal of the American Chemical Society, 2021, 143, 1618-1629 |
| 4135612 | CIF | C38 H52 Ir2 N4 O14 S2 | P -1 | 10.162; 10.528; 10.914 64.682; 89.99; 89.904 | 1055.5 | Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro Catalytic Hydrogenation of CO<sub>2</sub> to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction. Journal of the American Chemical Society, 2021, 143, 1570-1576 |
| 4135613 | CIF | C24 H40 O20 P3 Y | P n a 21 | 9.835; 16.634; 23.5 90; 90; 90 | 3844 | Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376 |
| 4135614 | CIF | C27 H33 O12 P3 | C 1 c 1 | 16.1261; 24.9525; 7.565 90; 104.358; 90 | 2949 | Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376 |
| 4135615 | CIF | C36 H47 O10 P3 | P 1 21/c 1 | 11.2203; 14.5145; 23.22 90; 96.497; 90 | 3757.3 | Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework. Journal of the American Chemical Society, 2021, 143, 1365-1376 |
| 4135616 | CIF | C176 H172 O48 | P -1 | 12.182; 17.093; 21.861 68.21; 89.91; 73.2 | 4017.69 | Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents. Journal of the American Chemical Society, 2021, 143, 1553-1561 |
| 4135617 | CIF | C91 H0.5 O29 | P -1 | 12.0109; 16.9861; 21.9656 83.59; 75.478; 70.196 | 4079.88 | Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents. Journal of the American Chemical Society, 2021, 143, 1553-1561 |
| 4135618 | CIF | C34 H36 N2 O6 S2 Si | P -1 | 6.8633; 11.6049; 24.2941 103.462; 90.236; 104.924 | 1814.1 | Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340 |
| 4135619 | CIF | C25 H29 N O4 S Si | P 1 21/n 1 | 12.3097; 14.4416; 13.6087 90; 101.087; 90 | 2374.09 | Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340 |
| 4135620 | CIF | C126 H102 N6 O15 S3 | P 1 21/c 1 | 10.7433; 45.1666; 21.5283 90; 101.322; 90 | 10243.1 | Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors. Journal of the American Chemical Society, 2021, 143, 1334-1340 |
| 4135621 | CIF | C29 H22 N4 O2 S | P 1 21/c 1 | 20.0963; 14.6995; 8.0035 90; 94.679; 90 | 2356.4 | Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283 |
| 4135622 | CIF | C20 H15 N3 O2 | P -1 | 8.071; 9.968; 10.206 101.062; 97.362; 100.442 | 781.1 | Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283 |
| 4135623 | CIF | C27 H18 N4 O2 S | P c a 21 | 31.4363; 8.9581; 7.7402 90; 90; 90 | 2179.71 | Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283 |
| 4135624 | CIF | C22 H19 N3 O2 | P b c a | 8.438; 16.7089; 25.36 90; 90; 90 | 3575.5 | Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L. Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties. Journal of the American Chemical Society, 2021, 143, 1278-1283 |
| 4135625 | CIF | C8 H4 D1.46 N0.49 O5 V | I 41 2 2 | 15.135; 15.135; 12.033 90; 90; 90 | 2756.4 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135626 | CIF | C8 H3 O5 V | I 41 2 2 | 15.0246; 15.0246; 11.9519 90; 90; 90 | 2698 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135627 | CIF | C8 H4 O5 V | I 41 2 2 | 15.1215; 15.1215; 12.0683 90; 90; 90 | 2759.5 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135628 | CIF | C8 H4 In O5 | I 41 2 2 | 15.5056; 15.5056; 12.339 90; 90; 90 | 2966.59 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135629 | CIF | C8 H3 D5.04 Fe N2.23 O5 | I 41 2 2 | 15.102; 15.102; 11.9998 90; 90; 90 | 2736.8 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135630 | CIF | C8 H3.3 D0.88 In N0.33 O5 | I 41 2 2 | 15.4911; 15.4911; 12.3275 90; 90; 90 | 2958.3 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135631 | CIF | C8 H3 D6.65 N2.22 O5 V | I 41 2 2 | 15.09; 15.09; 12.01 90; 90; 90 | 2735 | Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding. Journal of the American Chemical Society, 2021, 143, 3153-3161 |
| 4135632 | CIF | C6 H3 Cu N4 | P n n a | 10.9436; 8.6154; 10.0156 90; 90; 90 | 944.31 | Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660 |
| 4135633 | CIF | C2.75 H0.5 Br0.5 Cu0.5 N2 | P n n a | 10.9748; 8.5812; 10.0596 90; 90; 90 | 947.38 | Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660 |
| 4135634 | CIF | C3 H1.5 Br0.5 Cu0.5 N2 | P n n a | 10.9745; 8.6056; 10.0876 90; 90; 90 | 952.7 | Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660 |
| 4135635 | CIF | C2.5 Br0.5 Cu0.5 N2 | P n n a | 11.0306; 8.6572; 10.0114 90; 90; 90 | 956 | Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification. Journal of the American Chemical Society, 2021, 143, 8654-8660 |
| 4135636 | CIF HKL | C103 H20 O2 S6 | C 1 2/m 1 | 18.6097; 19.5333; 16.7214 90; 96.1449; 90 | 6043.5 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135637 | CIF HKL | C110 H60 Cl10 O4 | C 1 c 1 | 30.4743; 10.2536; 27.1459 90; 104.991; 90 | 8193.6 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135638 | CIF | C84 H44 Cl12 O4 | P -1 | 13.7614; 14.9731; 17.3086 78.771; 78.615; 75.028 | 3338.5 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135639 | CIF | C148 H80 Cl12 O4 | C 1 2/m 1 | 19.5697; 17.9147; 38.807 90; 104.474; 90 | 13173.4 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135640 | CIF HKL | C121 H65 Cl27 O4 | P 1 21/c 1 | 18.667; 19.234; 16.2905 90; 108.354; 90 | 5551.4 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135641 | CIF HKL | C150 H84 Cl18 O4 | C 1 2/c 1 | 43.4297; 13.7993; 20.6059 90; 102.772; 90 | 12043.6 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135642 | CIF | C84 H64 O4 | P -1 | 10.4352; 17.672; 19.298 68.679; 86.263; 82.937 | 3289.2 | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors Journal of the American Chemical Society, 2021, 144, 556-572 |
| 4135643 | CIF | Cu26 S32 Sn6 V2 | P -4 3 n | 10.8289; 10.8289; 10.8289 90; 90; 90 | 1269.85 | Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195 |
| 4135644 | CIF | Cu26 S32 Sn6 V2 | P -4 3 n | 10.77006; 10.77006; 10.77006 90; 90; 90 | 1249.26 | Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195 |
| 5000016 | CIF | C4 H9 N O3 | P 21 21 21 | 13.611; 7.738; 5.142 90; 90; 90 | 541.57 | Shoemaker, David P.; Donohue, Jerry; Schomaker, Verner; Corey, Robert B. The Crystal Structure of L~s~-Threonine Journal of the American Chemical Society, 1950, 72, 2328-2349 |
| 5000048 | CIF | C37 H42 Mg N4 O7 | P 31 | 8.859; 8.859; 38.119 90; 90; 120 | 2590.85 | Chow, H.-C.; Serlin, R.; Strouse, C. E. Crystal and Molecular Structure and Absolute Configuration of Ethyl Chlorophyllide a Dihydrate. Model for the Different Spectral Forms of Chlorophyll a Journal of the American Chemical Society, 1975, 97, 7230-7237 |
| 5000054 | CIF | C14 H19 N2 O5.5 | P 41 | 17.685; 17.685; 4.919 90; 90; 90 | 1538.46 | Hatada, M.; Jancarik, J.; Graves, B.; Kim, Sung-Hou Crystal structure of aspartame, a peptide sweetener Journal of the American Chemical Society, 1985, 107, 4279-4282 |
| 5000126 | CIF | C16 H13 Cl N2 O | P 1 21/a 1 | 12.9284; 13.3537; 7.9763 90; 90.01; 90 | 1377.04 | Camerman, Arthur; Camerman, Norman Stereochemical basis of anticonvulsant drug action. II. Molecular structure of diazepam Journal of the American Chemical Society, 1972, 94, 268-272 |
| 5000139 | CIF | C22 H24 N2 O9 | P 21 21 21 | 8.836; 12.416; 18.76 90; 90; 90 | 2058.12 | Prewo, R.; Stezowski, J. J. Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base Journal of the American Chemical Society, 1977, 99, 1117-1121 |
| 5000164 | CIF | C4 H8 O2 | P 1 21/n 1 | 5.715; 6.458; 6.131 90; 99.89; 90 | 222.92 | Koritsanszky, T.; Strumpel, M. K.; Buschmann, J.; Luger, P.; Hansen, N. K.; Pichon-Pesme, V. A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane Journal of the American Chemical Society, 1991, 113, 9148-9154 |
| 5000187 | CIF | C9 H8 O2 | P 1 21/n 1 | 7.7163; 17.6101; 5.5655 90; 96.396; 90 | 751.56 | Enkelmann, Volker; Wegner, Gerhard; Novak, Kathleen; Wagener, Kenneth B. Single-crystal-to-single-crystal photodimerization of cinnamic acid Journal of the American Chemical Society, 1993, 115, 10390-10391 |
| 5000194 | CIF | C4 H6 O2 | P 1 21/n 1 | 7.514; 5.249; 6.552 90; 116.1; 90 | 232.07 | Eriks, K.; Hayden, T. D.; Yang, S. Hsi; Chan, I. Y. Crystal and molecular structure of biacetyl (2,3-butanedione), (H~3~CCO)~2~, at -12 and -100 °C Journal of the American Chemical Society, 1983, 105, 3940-3942 |
| 5000235 | CIF | C50 H70 O14 | P 1 21 1 | 12.559; 14.263; 13.739 90; 106.13; 90 | 2364.17 | Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E. Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion Journal of the American Chemical Society, 1995, 117, 10252-10263 |
| 5000240 | CIF | C50 H81 N4 O15 P | P 21 21 21 | 18.173; 20.138; 15.574 90; 90; 90 | 5699.58 | Kato, Yuko; Fusetani, Nobuhiro; Matsunaga, Shigeki; Hashimoto, Kanehisa; Fujita, Shigeo; Furuya, Toshio Bioactive marine metabolites. Part 16. Calyculin A. A novel antitumor metabolite from the marine sponge Discodermia calyx Journal of the American Chemical Society, 1986, 108, 2780-2781 |
| 5000241 | CIF | C36 H45 Cl N4 O | P 21 21 21 | 12.989; 15.267; 15.89 90; 90; 90 | 3151.04 | Sakai, Ryuichi; Higa, Tatsuo; Jefford, Charles W.; Bernardinelli, Gerald Manzamine A, a novel antitumor alkaloid from a sponge Journal of the American Chemical Society, 1986, 108, 6404-6405 |
| 5000247 | CIF | C38 H62 O8 | P 21 21 21 | 11.417; 15.22; 22.486 90; 90; 90 | 3907.32 | Bauer, Ines; Maranda, Lucie; Shimizu, Yuzuru; Peterson, Russell W.; Cornell, Laurie; Steiner, Jorge Rios; Clardy, Jon The Structures of Amphidinolide B Isomers: Strongly Cytotoxic Macrolides Produced by a Free-Swimming Dinoflagellate, Amphidinium sp Journal of the American Chemical Society, 1994, 116, 2657-2658 |
| 5000250 | CIF | C64 H94 N8 O15 | P 21 21 21 | 13.456; 17.884; 28.965 90; 90; 90 | 6970.34 | Renner, Matthew K.; Shen, Ya-Ching; Cheng, Xing-Chung; Jensen, Paul R.; Frankmoelle, Walter; Kauffman, Christopher A.; Fenical, William; Lobkovsky, Emil; Clardy, Jon Cyclomarins A‒C, New Antiinflammatory Cyclic Peptides Produced by a Marine Bacterium (Streptomyces sp.) Journal of the American Chemical Society, 1999, 121, 11273-11276 |
| 5000254 | CIF | C24 H22 Cl4 O6 | P 21 21 21 | 21.137; 12.861; 9.516 90; 90; 90 | 2586.86 | Arora, Satish K.; Bates, Robert B.; Grady, Raymond A.; Delfel, Norman E. Crystal and molecular structure of the one to one complex of rotenone and carbon tetrachloride Journal of the American Chemical Society, 1975, 97, 5752-5755 |
| 5000255 | CIF | C12 H25 Cl2 N7 O5 | P 21 21 21 | 9.213; 11.837; 18.573 90; 90; 90 | 2025.47 | Bordner, Jon; Thiessen, William E.; Bates, Hans A.; Rapoport, Henry Structure of a crystalline derivative of saxitoxin. Structure of saxitoxin Journal of the American Chemical Society, 1975, 97, 6008-6012 |
| 5000260 | CIF | C15 H14 N4 O3 S | C 1 2/c 1 | 22.71; 8.052; 15.879 90; 95.72; 90 | 2889.19 | Jalal, M. A. F.; Hossain, M. B.; Van der Helm, Dick; Sanders-Loehr, J.; Actis, L. A.; Crosa, J. H. Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum Journal of the American Chemical Society, 1989, 111, 292-296 |
| 5000271 | CIF | C51 H72 Cl N7 O16 | P 21 21 21 | 8.801; 22.595; 27.776 90; 90; 90 | 5523.5 | Trischman, Jacqueline A.; Tapiolas, Dianne M.; Jensen, Paul R.; Dwight, Ryan; Fenical, William; McKee, Tawnya C.; Ireland, Chris M.; Stout, Thomas J.; Clardy, Jon Salinamides A and B: anti-inflammatory depsipeptides from a marine streptomycete Journal of the American Chemical Society, 1994, 116, 757-758 |
| 5000275 | CIF | C19 H25 N O | P 1 21 1 | 9.593; 7.815; 11.342 90; 99.47; 90 | 838.71 | Williams, Geoffrey M.; Roughley, Stephen D.; Davies, John E.; Holmes, Andrew B.; Adams, Joseph P. Synthesis of (-)-Histrionicotoxin by a Tandem Process Journal of the American Chemical Society, 1999, 121, 4900-4901 |
| 5000277 | CIF | C29 H30 N4 O10 | P 21 21 21 | 13.676; 30.663; 6.821 90; 90; 90 | 2860.37 | Chiu, Yuan-Yuan H.; Lipscomb, William N. Molecular and crystal structure of streptonigrin Journal of the American Chemical Society, 1975, 97, 2525-2530 |
| 5000279 | CIF | C22 H22 N2 O7 Se | P -1 | 8.574; 11.434; 12.702 114.14; 92.33; 103.39 | 1092.53 | Burton, Jonathan W.; Clark, J. Stephen; Derrer, Sam; Stork, Thomas C.; Bendall, Justin G.; Holmes, Andrew B. Synthesis of Medium Ring Ethers. 5. The Synthesis of (+)-Laurencin Journal of the American Chemical Society, 1997, 119, 7483-7498 |
| 5000280 | CIF | C22 H22 O4 | P 1 21/c 1 | 8.144; 11.439; 19.712 90; 94.12; 90 | 1831.61 | Miles, D. Howard; Bhattacharyya, J.; Mody, Naresh V.; Atwood, Jerry L.; Black, Susan; Hedin, Paul A. Antineoplastic agents. 3. The structure of juncusol. A novel cytotoxic dihydrophenanthrene from the estuarine marsh plant juncus reomerianus Journal of the American Chemical Society, 1977, 99, 618-620 |
| 5000296 | CIF | C182 H193 Mn18 N7 O74 P12 | C 1 2/c 1 | 55.071; 33.491; 27.331 90; 114.966; 90 | 45699 | Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4] Journal of the American Chemical Society, 2001, 123, 9914-9915 |
| 5000298 | CIF | C124 H136 Cl24 Mn12 O48 P8 | P 42/n :2 | 25.2075; 25.2075; 13.4133 90; 90; 90 | 8523.1 | Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~] Journal of the American Chemical Society, 2001, 123, 9914-9915 |
| 5000342 | CIF | C105 H102 Cl18 Mn12 N6 O30 | C 1 2/c 1 | 36.774; 14.9295; 27.037 90; 121.884; 90 | 12604.3 | Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736 |
| 5000356 | CIF | C104 H104 Cl12 Mn12 N6 O32 | P -1 | 14.2602; 14.8241; 15.7931 94.558; 92.773; 114.916 | 3005.9 | Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736 |
| 5000357 | CIF | C107.4 H110.8 Br4 Cl2.8 Mn12 N6 O32 | I 41/a :2 | 41.153; 41.153; 14.3127 90; 90; 90 | 24239.5 | Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6] Journal of the American Chemical Society, 2002, 124, 3725-3736 |
| 5000365 | CIF | C105 H96 Cl10 Mn6 O16 | P 1 21/c 1 | 17.172; 18.302; 34.534 90; 100.363; 90 | 10677 | Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States Journal of the American Chemical Society, 1999, 121, 5489-5499 |
| 5000368 | CIF | C31 H24 Cl3 Mn O4 | P 1 21/n 1 | 13.888; 8.3476; 24.702 90; 102.689; 90 | 2793.8 | Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States Journal of the American Chemical Society, 1999, 121, 5489-5499 |
| 5000376 | CIF | C57 H59 B F25 O P2 Ru | C 1 2/c 1 | 18.744; 17.87; 18.608 90; 95.48; 90 | 6204.4 | Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G. The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor Journal of the American Chemical Society, 1997, 119, 7398-7399 |
| 5000381 | CIF | C61 H40 O | P 1 2/c 1 | 15.031; 11.437; 12.326 90; 96.702; 90 | 2104.48 | Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006 |
| 5000383 | CIF | C48 H34 | P n n a | 20.912; 16.579; 9.737 90; 90; 90 | 3375.82 | Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006 |
| 5000391 | CIF | C42 H24 | P 1 21/c 1 | 19.8971; 6.9274; 19.4153 90; 103.846; 90 | 2598.35 | Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal The Structure of Hexabenzotriphenylene and the Problem of Overcrowded "D3h" Polycyclic Aromatic Compounds Journal of the American Chemical Society, 1999, 121, 727-733 |
| 5000396 | CIF | C47 H48 O | C 1 2/c 1 | 22.8785; 12.4546; 25.6155 90; 93.51; 90 | 7285.3 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5000397 | CIF | C43 H40 Cl2 | P 1 21/n 1 | 13.3467; 9.3553; 27.408 90; 102.452; 90 | 3341.7 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5000398 | CIF | C46 H48 | P -1 | 10.1358; 16.5748; 22.172 76.86; 82.762; 75.525 | 3502.7 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5900015 | CIF | C2 H5 N O | R 3 c :H | 11.44; 11.44; 13.49 90; 90; 120 | 1528.95 | J. Am. Chem. Soc., 1940, 62, 2008 |
| 5900016 | CIF | C2 H4 N4 | C 1 2/c 1 | 15; 4.44; 13.12 90; 115.33; 90 | 789.78 | J. Am. Chem. Soc., 1940, 62, 1258 |
| 5900020 | CIF | C4 H8 I2 S3 | P 41 21 2 | 6.01; 6.01; 29.4 90; 90; 90 | 1061.93 | J. Am. Chem. Soc., 1950, 72, 2701 |
| 5900025 | CIF | C H6 Cl N | P 4/m n c | 6.04; 6.04; 5.05 90; 90; 90 | 184.23 | J. Am. Chem. Soc., 1946, 68, 1970 |
| 6000558 | CIF | Ag F3 | P 61 2 2 | 5.0782; 5.0782; 15.4524 90; 90; 120 | 345.1 | Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198 |
| 6000559 | CIF | Au F3 | P 61 2 2 | 5.1508; 5.1508; 16.2637 90; 90; 120 | 373.68 | Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198 |
| 6000560 | CIF | Fe2 O5 P | P n m a | 7.3639; 6.432; 7.455 90; 90; 90 | 353.1 | Warner, J. K.; Cheetham, A. K.; Cox, D. E.; Vondreele, R. B. Valence contrast between iron sites in alpha-Fe2PO5 - a comparative-study by magnetic neutron and resonant X-ray-powder diffraction Journal of The American Chemical Society, 1992, 114, 6074-6080 |
| 9009782 | CIF | Fe2 O3 | R -3 c :R | 5.42; 5.42; 5.42 55.28; 55.28; 55.28 | 100.236 | Pauling, L.; Hendricks, S. B. Crystal structures of hematite and corundum Journal of the American Chemical Society, 1925, 47, 781-790 |
| 9012287 | CIF | O4 Pb3 | P -4 b 2 | 8.86; 8.86; 6.66 90; 90; 90 | 522.807 | Gross, S. T. The crystal structure of Pb3O4 Journal of the American Chemical Society, 1943, 65, 1107-1110 |
| 9012288 | CIF | B | P -4 n 2 | 8.73; 8.73; 5.03 90; 90; 90 | 383.351 | Hoard, J. L.; Geller, S.; Hughes, R. E. On the structure of elementary boron Journal of the American Chemical Society, 1951, 73, 1892-1893 |
| 9012289 | CIF | C | F d -3 m :1 | 3.56669; 3.56669; 3.56669 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012290 | CIF | C | F d -3 m :1 | 3.56672; 3.56672; 3.56672 90; 90; 90 | 45.374 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012291 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012292 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012293 | CIF | C | F d -3 m :1 | 3.5669; 3.5669; 3.5669 90; 90; 90 | 45.381 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012294 | CIF | C | F d -3 m :1 | 3.5667; 3.5667; 3.5667 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012295 | CIF | C | F d -3 m :1 | 3.56674; 3.56674; 3.56674 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012296 | CIF | C | F d -3 m :1 | 3.56675; 3.56675; 3.56675 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012297 | CIF | C | F d -3 m :1 | 3.56683; 3.56683; 3.56683 90; 90; 90 | 45.378 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012298 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012299 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012300 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012301 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012302 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012303 | CIF | C | F d -3 m :1 | 3.567; 3.567; 3.567 90; 90; 90 | 45.385 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012305 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012309 | CIF | B | P 42/n n m :1 | 8.74; 8.74; 5.068 90; 90; 90 | 387.132 | Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: needle III Journal of the American Chemical Society, 1958, 80, 4507-4515 |
| 9012310 | CIF | B | P 42/n n m :1 | 8.771; 8.771; 5.088 90; 90; 90 | 391.422 | Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: plate Journal of the American Chemical Society, 1958, 80, 4507-4515 |
| 9012311 | CIF | S6 | R -3 :H | 10.818; 10.818; 4.28 90; 90; 120 | 433.779 | Donohue, J.; Caron, A.; Goldish, E. The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic Journal of the American Chemical Society, 1961, 83, 3748-3751 |
| 9014103 | CIF | Na Nb O3 | P 21 m a | 5.571; 7.766; 5.513 90; 90; 90 | 238.517 | Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E. The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite Journal of the American Chemical Society, 2010, 132, 8732-8746 |
| 9014359 | CIF | Al2 Ca3 O6 | P m -3 m | 7.624; 7.624; 7.624 90; 90; 90 | 443.148 | Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293 |
| 9014841 | CIF | C2.878 H11.38 O5 | F d -3 m :1 | 17.1925; 17.1925; 17.1925 90; 90; 90 | 5081.79 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014909 | CIF | C1.72 H18 O10 | F d -3 m :1 | 17.175; 17.175; 17.175 90; 90; 90 | 5066.29 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9017518 | CIF | Fe O3 | R 3 c :R | 5.43; 5.43; 5.43 55.28; 55.28; 55.28 | 100.792 | Pauling, L.; Hendricks, S. The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790 |
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