Crystallography Open Database
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Searching year of publication is 2015
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540643 | CIF | C42 H35 Cl3 Gd2 N9 O9 | P 1 21/n 1 | 14.218; 20.386; 20.455 90; 101.982; 90 | 5800 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540644 | CIF | C16 H20 Dy N5 O11 | P -1 | 10.3419; 14.585; 15.7309 95.672; 95.377; 109.768 | 2201.46 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540645 | CIF | C32 H35 Cl N7 O8 Y | P 1 21/c 1 | 12.2901; 15.4666; 18.778 90; 100.085; 90 | 3514.3 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540646 | CIF | C44 H82 Ga2 Ho2 N2 | P -1 | 10.1896; 11.5565; 11.5966 65.09; 83.184; 84.962 | 1228.69 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540647 | CIF | C44 H82 Al2 Ho2 N2 | C 1 2/c 1 | 24.0888; 11.7687; 20.4327 90; 111.559; 90 | 5387.3 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540648 | CIF | C81 H141 K2 La2 N4 O13 Si4 | P c c n | 20.3261; 54.668; 16.5827 90; 90; 90 | 18426.5 | Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J. Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants Chem. Sci., 2015, 6, 7267 |
| 1540649 | CIF | C11 H10 Br N2 S | P 1 21/c 1 | 7.687; 5.6405; 26.624 90; 97.533; 90 | 1144.4 | Shen, Tao; Huang, Xiaoqiang; Liang, Yu-Feng; Jiao, Ning Cu-Catalyzed Transformation of Alkynes and Alkenes with Azide and Dimethyl Sulfoxide Reagents. Organic letters, 2015, 17, 6186-6189 |
| 1540688 | CIF | C15 H26 O4 | P 21 21 21 | 8.28899; 11.8587; 15.3047 90; 90; 90 | 1504.4 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540689 | CIF | C24 H32 O6 | P 21 21 21 | 6.30022; 15.0054; 23.3482 90; 90; 90 | 2207.28 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540690 | CIF | C32 H41.41 O8.71 | P 21 21 21 | 10.0518; 13.1222; 21.7957 90; 90; 90 | 2874.89 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540691 | CIF | C16 H20 O6 | P 21 21 21 | 7.3761; 8.0325; 24.6298 90; 90; 90 | 1459.28 | Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia. Journal of natural products, 2015, 78, 2948-2955 |
| 1540696 | CIF | C12 H21 N O5 S | P 21 21 21 | 9.0359; 10.9281; 15.2645 90; 90; 90 | 1507.3 | Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations. Journal of agricultural and food chemistry, 2015, 63, 10778-10784 |
| 1540706 | CIF | C7 H5 N O4 | P -1 | 4.9472; 7.4767; 10.3691 68.856; 86.708; 70.864 | 337.15 | Zhurov, Vladimir V.; Pinkerton, A. Alan Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis. The journal of physical chemistry. A, 2015, 119, 13092-13100 |
| 1540712 | CIF | C57 H49 B2 F24 P2 Rh | P 1 21/c 1 | 12.721; 26.545; 18.27 90; 107.2; 90 | 5893 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1540713 | CIF | C57 H61 B2 F24 P2 Rh | P 1 21/n 1 | 13.155; 13.139; 35.677 90; 95.41; 90 | 6139 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1540714 | CIF | C53 H57 B2 F24 P2 Rh | P -1 | 12.494; 13.356; 18.152 102.66; 92.36; 90.85 | 2952 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1541911 | CIF | C30 H60 Ce O2 Si4 | P 1 21/c 1 | 11.199; 34.737; 10.931 90; 116.801; 90 | 3796 | Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John Synthesis and Characterization of Cerium(IV) Metallocenes Inorganics, 2015, 3, 589 |
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1543882 | CIF | Ca2.8 Cr1.2 Fe2.8 La1.2 O12 | P n m a | 5.4615; 7.747; 5.462 90; 90; 90 | 231.1 | Molero-Sánchez, Beatriz; Prado-Gonjal, Jesús; Ávila-Brande, David; Birss, Viola; Morán, Emilio Microwave-assisted synthesis and characterization of new cathodic material for solid oxide fuel cells: La0.3Ca0.7Fe0.7Cr0.3O3−δ Ceramics International, 2015, 41, 8411 |
| 1544474 | CIF | Li2 Mn O3 | C 1 2/m 1 | 4.9329; 8.5351; 5.026 90; 109.314; 90 | 199.7 | Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan, 2015, 123, 589-594 |
| 1544863 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.9424; 10.6332; 7.0365 90; 90; 90 | 1118 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: not annealed Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544864 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.934; 10.53; 6.952 90; 90; 90 | 1093.2 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: annealed at 810 C Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544909 | CIF | Al0.5 La2 Li0.5 O4 | I 4/m m m | 3.7742; 3.7742; 12.753 90; 90; 90 | 181.66 | Hamao, N.; Kataoka, K.; Akimoto, J. Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure Journal of Asian Ceramic Societies, 2015, 3, 301-304 |
| 1544912 | CIF | Bi2 Cd O6 | P 3 2 1 | 9.3641; 9.3641; 4.9523 90; 90; 120 | 376.07 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1544913 | CIF | Bi0.63 Cd0.37 O1.79 | F m -3 m | 5.411; 5.411; 5.411 90; 90; 90 | 158.43 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1547211 | CIF | C19 H22 N2 O | P -1 | 11.198; 12.291; 13.361 93.151; 97.65; 92.66 | 1817.13 | Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives Chemistry Central Journal, 2015, 9, 17 |
| 1547212 | CIF | C19 H21 N3 O2 | P -1 | 9.1789; 12.7776; 16.0615 89.255; 86.758; 70.507 | 1772.9 | Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives Chemistry Central Journal, 2015, 9, 17 |
| 1547278 | CIF | C7 H3 N2 O9 Sm | P 1 21/n 1 | 9.361; 8.3498; 16.7159 90; 106.31; 90 | 1253.98 | KRANTHI KUMAR GANGU; ANIMA S DADHICH; SARATCHANDRA BABU MUKKAMALA Hydrothermal synthesis, crystal structure and luminescence property of a three dimensional Sm(III) coordination polymer with 2,5-pyridinedicarboxylic acid Journal of Chemical Sciences, 2015, 127, 2225-2230 |
| 1547408 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4393; 8.1764; 21.7395 90; 90; 90 | 2566.6 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547409 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4687; 8.1829; 21.8084 90; 90; 90 | 2582 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547410 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4829; 8.1938; 21.8441 90; 90; 90 | 2592.24 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547411 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4899; 8.2086; 21.9106 90; 90; 90 | 2606.09 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547412 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4902; 8.2249; 22.0106 90; 90; 90 | 2623.2 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547413 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4588; 8.18; 21.7664 90; 90; 90 | 2574.38 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547414 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4597; 8.1802; 21.7812 90; 90; 90 | 2576.35 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547415 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4638; 8.1835; 21.7953 90; 90; 90 | 2579.79 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547416 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4666; 8.1868; 21.8103 90; 90; 90 | 2583.11 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547417 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4701; 8.1889; 21.8216 90; 90; 90 | 2585.73 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547418 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4734; 8.1921; 21.8397 90; 90; 90 | 2589.48 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547419 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4763; 8.1946; 21.8522 90; 90; 90 | 2592.27 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547420 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4795; 8.1974; 21.8693 90; 90; 90 | 2595.76 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547421 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4814; 8.1993; 21.8844 90; 90; 90 | 2598.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547422 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4852; 8.202; 21.9002 90; 90; 90 | 2601.91 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547423 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4884; 8.2048; 21.9167 90; 90; 90 | 2605.34 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547424 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4914; 8.2069; 21.9332 90; 90; 90 | 2608.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547425 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.495; 8.2094; 21.9489 90; 90; 90 | 2611.81 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547426 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4973; 8.2118; 21.9658 90; 90; 90 | 2615 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547427 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.5008; 8.2141; 21.9821 90; 90; 90 | 2618.31 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547428 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.504; 8.2162; 21.9984 90; 90; 90 | 2621.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547429 | CIF | C11 H12 N4 O2 S | P b c a | 9.0785; 11.5265; 22.8581 90; 90; 90 | 2391.95 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547430 | CIF | C11 H12 N4 O2 S | P b c a | 9.0963; 11.5574; 22.8612 90; 90; 90 | 2403.39 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547431 | CIF | C11 H12 N4 O2 S | P b c a | 9.0885; 11.5482; 22.7898 90; 90; 90 | 2391.9 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547432 | CIF | C11 H12 N4 O2 S | P b c a | 9.0907; 11.5779; 22.8104 90; 90; 90 | 2400.82 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547433 | CIF | C11 H12 N4 O2 S | P b c a | 9.1074; 11.6193; 22.8456 90; 90; 90 | 2417.56 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547434 | CIF | C11 H12 N4 O2 S | P b c a | 9.1228; 11.6522; 22.8488 90; 90; 90 | 2428.8 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547435 | CIF | C11 H12 N4 O2 S | P b c a | 9.1349; 11.6868; 22.866 90; 90; 90 | 2441.12 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547436 | CIF | C11 H12 N4 O2 S | P b c a | 9.0823; 11.5422; 22.8439 90; 90; 90 | 2394.72 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547437 | CIF | C11 H12 N4 O2 S | P b c a | 9.0881; 11.5538; 22.8478 90; 90; 90 | 2399.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547438 | CIF | C11 H12 N4 O2 S | P b c a | 9.0992; 11.5635; 22.8525 90; 90; 90 | 2404.51 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547439 | CIF | C11 H12 N4 O2 S | P b c a | 9.0972; 11.5751; 22.8531 90; 90; 90 | 2406.45 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547440 | CIF | C11 H12 N4 O2 S | P b c a | 9.1048; 11.5802; 22.8576 90; 90; 90 | 2410 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547441 | CIF | C11 H12 N4 O2 S | P b c a | 9.1064; 11.5845; 22.8569 90; 90; 90 | 2411.25 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547442 | CIF | C11 H12 N4 O2 S | P b c a | 9.107; 11.5902; 22.8593 90; 90; 90 | 2412.84 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547443 | CIF | C11 H12 N4 O2 S | P b c a | 9.1066; 11.5983; 22.8627 90; 90; 90 | 2414.78 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547444 | CIF | C11 H12 N4 O2 S | P b c a | 9.1158; 11.6222; 22.8715 90; 90; 90 | 2423.14 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547445 | CIF | C11 H12 N4 O2 S | P b c a | 9.12; 11.6339; 22.8697 90; 90; 90 | 2426.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547446 | CIF | C11 H12 N4 O2 S | P b c a | 9.1237; 11.6442; 22.8738 90; 90; 90 | 2430.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547447 | CIF | C11 H12 N4 O2 S | P b c a | 9.128; 11.6579; 22.8759 90; 90; 90 | 2434.3 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547448 | CIF | C11 H12 N4 O2 S | P b c a | 9.1311; 11.6667; 22.88 90; 90; 90 | 2437.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547449 | CIF | C11 H12 N4 O2 S | P b c a | 9.1357; 11.6782; 22.8834 90; 90; 90 | 2441.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547450 | CIF | C11 H12 N4 O2 S | P b c a | 9.1405; 11.6923; 22.8838 90; 90; 90 | 2445.67 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547451 | CIF | C11 H12 N4 O2 S | P b c a | 9.1415; 11.7002; 22.8837 90; 90; 90 | 2447.58 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547452 | CIF | C11 H12 N4 O2 S | P b c a | 9.1445; 11.713; 22.8862 90; 90; 90 | 2451.33 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1548032 | CIF | C5 H7 N8 O0.5 Zn | P 31 2 1 | 9.6767; 9.6767; 20.172 90; 90; 120 | 1635.8 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548033 | CIF | C5 H6 N8 Zn | P 31 2 1 | 9.6963; 9.6963; 20.126 90; 90; 120 | 1638.7 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548034 | CIF | C5.7 H8.09 N8 Zn | P 31 2 1 | 9.663; 9.663; 20.224 90; 90; 120 | 1635.4 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548035 | CIF | C5.78 H7.56 N8 Zn | P 31 2 1 | 9.6896; 9.6896; 20.153 90; 90; 120 | 1638.6 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548036 | CIF | C5.13 H6 N8 O0.27 Zn | P 31 2 1 | 9.7682; 9.7682; 20.1 90; 90; 120 | 1660.9 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548069 | CIF | C68 H27 Al2 F73.75 Ga N6 O8 | C 1 2/c 1 | 25.1999; 15.4651; 24.792 90; 112.931; 90 | 8898.4 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548070 | CIF | C108 H48 Al3 F108 In3 N12 O12 | P 1 21/c 1 | 22.4009; 30.7088; 20.4177 90; 95.459; 90 | 13981.7 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548071 | CIF | C422 H184 Al12 F437 In12 N40 O48 | P -1 | 16.2891; 25.6709; 33.2531 89.47; 87.358; 81.522 | 13738.4 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548072 | CIF | C124 H48 Al4 F144 In4 N12 O16 | P -1 | 34.744; 34.792; 37.21 106.127; 101.609; 118.938 | 34671 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548073 | CIF | C86 H39 Al2 F75 In2 N6 O8 | P 1 21/c 1 | 20.2872; 28.7711; 19.7149 90; 117.303; 90 | 10225.3 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548074 | CIF | C80 H36 Ag Al2 F76 In N4 O8 | P 1 21/n 1 | 16.4785; 23.7211; 25.2293 90; 97.519; 90 | 9777 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548158 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 21.7729; 10.4524; 9.7642 90; 88.212; 90 | 2221 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548159 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 11.2235; 9.8526; 20.7922 90; 88.74; 90 | 2298.66 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548160 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 11.181; 9.809; 20.71 90; 88.545; 90 | 2271 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548161 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 10.697; 9.84; 20.854 90; 90.15; 90 | 2195.1 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548166 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8533; 25.995; 8.1782 90; 100.741; 90 | 2058 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548167 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.865; 25.934; 8.172 90; 100.762; 90 | 2053.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548168 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8591; 26.027; 8.1886 90; 100.676; 90 | 2064.8 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548169 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.801; 27.12; 7.7592 90; 101.09; 90 | 2023.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548170 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.915; 26.133; 8.3197 90; 101.9; 90 | 2109.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548171 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.86; 25.836; 8.226 90; 102.973; 90 | 2042 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548172 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.871; 26.022; 8.286 90; 101.902; 90 | 2082.6 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548173 | CIF | C17 H19 Co N7 O8 | P 1 21/c 1 | 9.699; 27.857; 7.707 90; 101.44; 90 | 2040.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548174 | CIF | C18 H23 Co N7 O9 | P -1 | 8.037; 15.043; 18.574 90.537; 94.769; 92.761 | 2235 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548175 | CIF | C22 H29 Co N7 O8 | P 1 21/c 1 | 11; 16.03; 15.347 90; 106.744; 90 | 2591.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548176 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.849; 25.942; 8.161 90; 100.764; 90 | 2048.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548177 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8458; 25.898; 8.1434 90; 100.839; 90 | 2039.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548178 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.7984; 27.41; 7.6404 90; 100.082; 90 | 2020.3 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548179 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.7948; 27.435; 7.5979 90; 100.265; 90 | 2009 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548180 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.794; 27.475; 7.548 90; 100.433; 90 | 1997.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548181 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.796; 27.433; 7.5962 90; 100.288; 90 | 2008.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548182 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.804; 27.417; 7.659 90; 100.03; 90 | 2027.2 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548183 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8515; 25.892; 8.1511 90; 100.82; 90 | 2042.2 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548184 | CIF | C27 H34 Dy P | P 1 21/n 1 | 8.197; 24.7447; 11.5021 90; 94.741; 90 | 2325 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548185 | CIF | C70 H83 Dy3 P3 | C 1 c 1 | 14.8907; 18.6253; 23.5996 90; 103.258; 90 | 6370.8 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548186 | CIF | C194 H286 Dy6 Li O17 P6 | P 1 21/c 1 | 22.321; 15.7702; 27.9921 90; 95.319; 90 | 9811 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548187 | CIF | C27 H34 P Y | P 1 21/n 1 | 8.179; 24.6788; 11.5031 90; 94.707; 90 | 2314 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548188 | CIF | C70 H83 P3 Y3 | P 1 21/c 1 | 11.6328; 25.0914; 21.5705 90; 91.002; 90 | 6295.1 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548189 | CIF | C99 H147 Li3 O9 P3 Y3 | P 1 21/c 1 | 22.3184; 15.7523; 27.9702 90; 95.358; 90 | 9790.4 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548203 | CIF | C21 H15 Am N3 O13.5 | P -1 | 11.8381; 13.3788; 15.1601 91.0206; 95.2167; 103.108 | 2327 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548204 | CIF | C21 H12 Cm N3 O13.3 | P -1 | 11.8146; 13.3852; 15.1717 90.9375; 95.3161; 103.111 | 2324.9 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548205 | CIF | C21 H12 Cf N3 O13 | P -1 | 11.7542; 13.4315; 15.1978 91.118; 95.911; 103.107 | 2322.17 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548208 | CIF | C40 H54 N14 O41 W12 Zn3 | P 1 21 1 | 15.088; 13.2353; 18.0221 90; 94.414; 90 | 3588.23 | Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007 |
| 1548209 | CIF | C40 H54 N14 O41 W12 Zn3 | P 1 21 1 | 15.1029; 13.2535; 18.033 90; 94.44; 90 | 3598.8 | Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007 |
| 1548210 | CIF | C192 H216 Au38 S24 | P -1 | 21.974; 22.685; 24.846 84.189; 79.598; 69.834 | 11425 | Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin Structural isomserism in gold nanoparticles revealed by X-ray crystallography Nature Communications, 2015, 6, 8667 |
| 1548213 | CIF | C54 H72 Al2 N6 Te2 | P 1 21/n 1 | 12.4329; 22.915; 19.419 90; 92.861; 90 | 5525.58 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548214 | CIF | C45 H68 Al N7 Te | P 1 21/c 1 | 12.2033; 19.649; 19.497 90; 95.069; 90 | 4656.8 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548215 | CIF | C72 H104 Al2 N10 Te2 | P -1 | 10.4285; 12.9619; 15.2266 107.012; 101.576; 104.722 | 1817.4 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548216 | CIF | C24 H16 Cd N2 O4 | P 1 21/c 1 | 10.3397; 15.6399; 14.9889 90; 100.948; 90 | 2379.77 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548217 | CIF | C24 H16 Cd N2 O4 | P 1 21/c 1 | 10.10785; 17.0515; 14.7514 90; 97.9248; 90 | 2518.18 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548218 | CIF | C27 H23 Cd N3 O5 | P 1 21/c 1 | 9.442; 17.6271; 14.8977 90; 96.085; 90 | 2465.53 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548219 | CIF | C27 H23 Cd N3 O5 | P 1 21/c 1 | 9.7055; 17.8498; 14.7845 90; 94.7485; 90 | 2552.49 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548220 | CIF | C28 H25 Cd N3 O5 | P 1 21/c 1 | 9.727; 17.0204; 15.2959 90; 96.8477; 90 | 2514.29 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548221 | CIF | C28 H25 Cd N3 O5 | P 1 21/c 1 | 9.7904; 17.366; 15.2569 90; 95.4829; 90 | 2582.11 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548222 | CIF | C9 H12 I N O3 | P 1 21 1 | 6.2312; 5.2898; 16.469 90; 96.772; 90 | 539.06 | Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo Supramolecular amplification of amyloid self-assembly by iodination Nature Communications, 2015, 6, 7574 |
| 1548223 | CIF | C53.66667 H31.66667 Cl2 Cu N4 | C 1 2/c 1 | 35.403; 18.9578; 23.171 90; 130.29; 90 | 11862 | Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen Modulation of the molecular spintronic properties of adsorbed copper corroles Nature Communications, 2015, 6, 7547 |
| 1548224 | CIF | C18 H23 N O5 | P 1 21 1 | 12.6748; 5.3055; 13.6447 90; 106.479; 90 | 879.86 | Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically Nature Communications, 2015, 6, 8418 |
| 1548225 | CIF | C24 H32 O2 Si | P 21 21 21 | 7.6184; 16.5442; 18.1572 90; 90; 90 | 2288.54 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548226 | CIF | C14 H16 O2 | P 1 21 1 | 7.2978; 6.7046; 11.4419 90; 90.391; 90 | 559.83 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548227 | CIF | C18 H22 O5 | P -1 | 8.7788; 9.8167; 10.4098 104.353; 109.179; 98.133 | 796.13 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548228 | CIF | C14 H18 O2 | P 21 21 21 | 15.2428; 15.4175; 21.1538 90; 90; 90 | 4971.3 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548229 | CIF | C18 H8 Br2 I2 O2 S8 | P 1 21/n 1 | 10.501; 11.9699; 11.0318 90; 109.896; 90 | 1303.9 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548230 | CIF | C12 H4 Br2 I2 O2 S4 | P -1 | 7.008; 7.571; 9.696 111.669; 108.287; 93.393 | 444.9 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548231 | CIF | C12 H4 Br3 I O2 S4 | P -1 | 8.4688; 8.7721; 11.6407 93.405; 97.351; 91.892 | 855.44 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548232 | CIF | C12 H4 Br I3 O2 S4 | P -1 | 7.0535; 7.6622; 9.7173 111.757; 107.972; 94.14 | 453.5 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548233 | CIF | C12 H4 I4 O2 S4 | P -1 | 7.0996; 7.7287; 9.7508 111.648; 107.843; 94.7 | 461.74 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548234 | CIF | C36 H60 N7 O15.7 | P 1 21 1 | 8.9071; 39.9588; 13.1061 90; 109.226; 90 | 4404.5 | Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit Formation of functional super-helical assemblies by constrained single heptad repeat Nature Communications, 2015, 6, 8615 |
| 1548235 | CIF | H14 Mo6 N2 O24 Te | P 3 | 12.56; 12.56; 3.944 90; 90; 120 | 539 | Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda Ultrathin inorganic molecular nanowire based on polyoxometalates Nature Communications, 2015, 6, 7731 |
| 1548246 | CIF | C158 H140 N4 O12 Si4 | P 21 21 21 | 15.99; 28.164; 30.875 90; 90; 90 | 13904 | Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236 |
| 1548247 | CIF | C76.5 H58 N2 O6 | P 1 21 1 | 12.65; 30.179; 16.608 90; 111.13; 90 | 5914 | Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236 |
| 1548248 | CIF | C50 H51 N | P -1 | 9.9215; 11.522; 17.8122 104.475; 93.873; 108.095 | 1850.6 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548249 | CIF | C55 H58 Br3 Cl5 N | P -1 | 11.6888; 15.2279; 16.1361 94.96; 111.005; 103.447 | 2561.8 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548250 | CIF | C50.75 H48.5 Cl0.75 N | P b c a | 13.17; 34.623; 36.534 90; 90; 90 | 16659 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548251 | CIF | C112.5 H47 Cl N O0 | P -1 | 13.462; 14.743; 18.096 98.297; 101.322; 97.33 | 3439 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548252 | CIF | C25 H28 O5 S2 Si2 | P 1 21/n 1 | 15.4348; 7.2594; 24.961 90; 93.585; 90 | 2791.3 | Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments Nature Communications, 2015, 6, 10233 |
| 1548264 | CIF | C11.5 H7.5 Cu O5.5 | P 42/n n m | 17.9257; 17.9257; 28.0627 90; 90; 90 | 9017.4 | Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions Nature Communications, 2015, 6, 7575 |
| 1548265 | CIF | C25 H29 B2 Cl2 N2 O2 | P -1 | 9.205; 10.74; 13.922 82.773; 76.229; 74.293 | 1284.1 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548266 | CIF | C22 H26 B2 N2 O2 | P b c n | 9.3775; 22.196; 9.432 90; 90; 90 | 1963.2 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548267 | CIF | C78 H83 B4 F11 N4 O10 S2 | P -1 | 10.8994; 13.3303; 14.0182 98.334; 90.656; 109.608 | 1894.4 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548268 | CIF | C34.5 H39.5 B2 N2 O2.75 | P 1 21/n 1 | 11.3572; 9.8183; 27.031 90; 96.547; 90 | 2994.5 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548269 | CIF | C23.5 H27 B2 Cl N2 O4 | P 1 21/c 1 | 13.017; 6.3932; 27.756 90; 99.795; 90 | 2276.2 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548270 | CIF | C30 H18 | C 1 2/c 1 | 22.535; 5.356; 16.749 90; 98.687; 90 | 1998 | Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang Positioning and joining of organic single-crystalline wires Nature Communications, 2015, 6, 6737 |
| 1548271 | CIF | C450 H492 B24 F18 Fe42 N240 O60 S6 | P n -3 n :2 | 30.8314; 30.8314; 30.8314 90; 90; 90 | 29308 | Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955 |
| 1548272 | CIF | C450 H548 B24 F18 Fe42 N240 O88 S6 | P n -3 n :2 | 30.7679; 30.7679; 30.7679 90; 90; 90 | 29127 | Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955 |
| 1548273 | CIF | C9 H5 Cu N5 O4 | P b c n | 12.1905; 14.4177; 20.4894 90; 90; 90 | 3601.2 | Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures Nature Communications, 2015, 6, 7328 |
| 1548274 | CIF | C48 H42 B Cl0.25 F24 Na O9 | C 1 2/m 1 | 18.3769; 16.7983; 18.7409 90; 107.372; 90 | 5521.4 | Rene-Chris Brachvogel; Frank Hampel; Max von Delius Self-assembly of dynamic orthoester cryptates Nature Communications, 2015, 6, 7129 |
| 1548275 | CIF | C18 H20 Mg2 N2 O10 | C 1 2/c 1 | 22.2003; 7.3575; 15.5257 90; 130.588; 90 | 1925.8 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548276 | CIF | C32 H30 Mg2 N4 O12 | C 1 2/c 1 | 18.2716; 17.2585; 13.5539 90; 129.666; 90 | 3290.1 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548277 | CIF | C39 H31 Ca2 N5 O13 | C 1 2/c 1 | 21.47; 19.39; 10.099 90; 119.867; 90 | 3646 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548294 | CIF | C27 H26 O5 S | P 1 | 4.6598; 11.2839; 12.0321 115.307; 97.601; 94.255 | 560.85 | Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239 |
| 1548295 | CIF | C48 H50 O6 S | P 1 21 1 | 13.673; 7.849; 18.491 90; 95.18; 90 | 1976.3 | Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239 |
| 1548302 | CIF | C158 H152 B2 F48 Pd10 | P 1 21/n 1 | 10.511; 20.522; 35.439 90; 94.2797; 90 | 7623.1 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548303 | CIF | C152 H146 B2 F48 O2 Pd10 | P -1 | 19.4381; 21.7533; 22.0547 86.871; 84.951; 66.93 | 8544.5 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548304 | CIF | C162 H154 B2 F48 Pd5 | P -1 | 17.1352; 20.7763; 23.2367 104.581; 90.8059; 105.76 | 7674.7 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548305 | CIF | C162 H154 B2 F48 Pd7 | P -1 | 17.1345; 20.7478; 23.226 104.412; 90.6725; 105.167 | 7692.4 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548306 | CIF | C162 H154 B2 F48 Pd5 Pt3 | P -1 | 17.0309; 20.8251; 23.3934 75.2877; 89.9715; 74.2761 | 7703.8 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548307 | CIF | C31 H37 B F2 N3 P | P 1 21/c 1 | 8.4508; 41.4961; 8.07 90; 94.122; 90 | 2822.6 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548308 | CIF | C80 H70 N4 P2 S2 Zn | C 1 2/c 1 | 28.4395; 18.7648; 16.3621 90; 123.051; 90 | 7318.9 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548309 | CIF | C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn | P -1 | 15.6349; 18.4356; 21.753 107.517; 110.288; 96.416 | 5442.2 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548351 | CIF | Fe4 Na4 O36 P12 | P 21 21 21 | 14.339; 14.3374; 14.3642 90; 90; 90 | 2953 | Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3 Data in Brief, 2015, 4, 217-221 |
| 1548358 | CIF | C21 H28 Cl6 O3 | P 1 | 6.315; 9.3352; 11.1622 104.386; 95.464; 107.774 | 596.44 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548359 | CIF | C19 H26 O3 | P 1 21 1 | 6.254; 11.2919; 11.5524 90; 97.355; 90 | 809.11 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548360 | CIF | C19 H29 N2 O7.5 S2 | P 21 21 21 | 9.499; 10.5848; 43.643 90; 90; 90 | 4388.1 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548416 | CIF | C19 H30 O5 | C 1 2/c 1 | 32.5104; 7.542; 18.7992 90; 123.469; 90 | 3845.1 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548417 | CIF | C15 H20 I N O3 S | P 1 21/n 1 | 11.4472; 5.3308; 28.617 90; 95.192; 90 | 1739.12 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548418 | CIF | C16 H19 N O2 S | P 21 21 21 | 5.9278; 8.3994; 31.263 90; 90; 90 | 1556.58 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548420 | CIF | C26 H37 Br2 N O Si | P -1 | 8.5127; 9.9548; 16.5298 85.838; 75.41; 84.304 | 1347.26 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548421 | CIF | C26 H39 N O Si | P 1 21/c 1 | 14.2427; 14.0437; 13.5442 90; 111.769; 90 | 2515.9 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548422 | CIF | C27 H37 N O2 Si | P 1 21/n 1 | 16.8831; 7.8642; 19.9523 90; 100.544; 90 | 2604.38 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548423 | CIF | C45 H62 N4 O9 Si2 | P -1 | 10.9419; 13.4756; 18.147 83.987; 80.786; 68.014 | 2446.21 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548470 | CIF | C44 H70 F3 N5 O9 S Si2 | P 1 21/n 1 | 13.0627; 22.7178; 18.8564 90; 107.908; 90 | 5324.6 | Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino Total synthesis of palau'amine Nature Communications, 2015, 6, 8731 |
| 1548471 | CIF | Ba3 Br Fe S4 | P n m a | 12.343; 9.5901; 8.4468 90; 90; 90 | 999.85 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548472 | CIF | Ba3 Br Fe S4 | P n m a | 12.3636; 9.5974; 8.4596 90; 90; 90 | 1003.8 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548473 | CIF | Ba3 Br Fe S4 | P n m a | 12.4081; 9.6132; 8.4859 90; 90; 90 | 1012.21 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548474 | CIF | C21 H25 N O3 | P 41 | 9.5905; 9.5905; 19.7424 90; 90; 90 | 1815.86 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548475 | CIF | C19 H25 N O6 | P 21 21 21 | 8.8437; 13.309; 16.8901 90; 90; 90 | 1988 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548476 | CIF | C18 H25 N O3 | P 21 21 21 | 10.6408; 17.7283; 18.1077 90; 90; 90 | 3415.9 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548477 | CIF | C18 H23 N O3 | P 21 21 21 | 9.3102; 9.6848; 18.5136 90; 90; 90 | 1669.32 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548478 | CIF | C22 H27 N O3 | C 1 2 1 | 30.107; 5.8007; 11.5447 90; 99.634; 90 | 1987.8 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548479 | CIF | C14 H23 N O3 | P 41 21 2 | 12.8285; 12.8285; 18.0935 90; 90; 90 | 2977.7 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548480 | CIF | C10 H16 N O3 | P 1 | 5.0728; 14.5938; 15.1058 83.648; 81.203; 83.714 | 1093.47 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548496 | CIF | C25 H24 N2 O5 S | P 21 21 21 | 8.4096; 15.0102; 18.0794 90; 90; 90 | 2282.2 | Ming Yang; Jian Li; Ang Li Total synthesis of clostrubin Nature Communications, 2015, 6, 6445 |
| 1548523 | CIF | C4 H12 Al3 F N O12.5 P3 | P -1 | 9.199; 9.202; 9.295 87.525; 79.027; 87.884 | 771.4 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548524 | CIF | C3 H12 Al3 F N O13 P3 | P -1 | 9.1231; 9.2411; 9.3426 86.769; 79.946; 87.846 | 774 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548525 | CIF | C5 H12.5 Al3 F N O12.25 P3 | P -1 | 9.18; 9.1957; 9.3606 86.532; 78.192; 87.739 | 771.76 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548527 | CIF | C19 H22 F3 N3 O7 | P 1 21 1 | 9.4094; 11.7301; 9.5007 90; 99.289; 90 | 1034.87 | Brendan T. Parr; Christos Economou; Seth B. Herzon A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials Nature, 2015, 525, 507-510 |
| 1548561 | CIF | C23 H29 N O3 | I 4 | 25.728; 25.728; 6.5313 90; 90; 90 | 4323.3 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548562 | CIF | C23 H27 N O4 | P 1 21 1 | 7.3863; 6.6732; 19.53 90; 90.68; 90 | 962.6 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548563 | CIF | C34 H43 N O5 S Si | P 1 | 10.6277; 11.3209; 15.3086 70.82; 77.972; 66.025 | 1583.5 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548580 | CIF | C44 H38.72 N6 O10.36 S2 | P 1 21/c 1 | 8.506; 16.426; 29.288 90; 91.98; 90 | 4089.7 | W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups Journal of Porphyrins and Phthalocyanines, 2015, 19, 1256-1261 |
| 1548582 | CIF | C21 H21 As Au Cl | P 1 21 1 | 12.9884; 17.0042; 13.3251 90; 90.318; 90 | 2942.9 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548583 | CIF | C21 H21 As Au Cl | P n m a | 11.6328; 14.0632; 11.9721 90; 90; 90 | 1958.6 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548584 | CIF | C26 H24 As2 Au2 Cl2 | C 1 2/c 1 | 17.4293; 14.8826; 11.5267 90; 116.607; 90 | 2673.31 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548585 | CIF | C31 H23 As Au Cl3 | P 1 21/c 1 | 9.4715; 18.0504; 16.0002 90; 96.461; 90 | 2718.09 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548647 | CIF | C H12 B11 Li | P c a 21 | 9.6668; 9.4892; 9.7273 90; 90; 90 | 892.29 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
| 1548648 | CIF | C H12 B11 Na | P c a 21 | 9.7821; 9.6254; 10.0928 90; 90; 90 | 950.3 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
| 1548716 | CIF | C18 H18 O | I 1 2/a 1 | 18.2502; 5.8703; 25.807 90; 100.988; 90 | 2714.1 | Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation Advanced Synthesis & Catalysis, 2015, 357, 2301-2309 |
| 1549530 | CIF | C10 H4 Ba2 O9 | C 1 2/c 1 | 7.8089; 17.5619; 9.148 90; 114.512; 90 | 1141.48 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549531 | CIF | C10 H4 O9 Pb2 | C 1 2/c 1 | 7.567; 17.228; 8.902 90; 113.59; 90 | 1063.5 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549533 | CIF | C19 H30 Cu N4 O16 | P 1 21/n 1 | 9.5848; 14.6574; 18.2114 90; 97.655; 90 | 2535.7 | Köferstein, Roberto; Robl, Christian A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1886 |
| 1551319 | CIF | C30 H62 N8 O16 | P 41 3 2 | 20.1798; 20.1798; 20.1798 90; 90; 90 | 8217.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551320 | CIF | C72 H69 N11 | C 1 2/c 1 | 23.6949; 13.4437; 18.9583 90; 98.83; 90 | 5967.5 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551321 | CIF | C216 H237 N35 | R 3 2 :H | 20.792; 20.792; 45.156 90; 90; 120 | 16906 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551322 | CIF | C216 H237 N35 | R 3 2 :H | 20.804; 20.804; 45.126 90; 90; 120 | 16914 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551323 | CIF | C216 H237 N35 | R 3 2 :H | 20.4108; 20.4108; 44.6718 90; 90; 120 | 16117 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551324 | CIF | C216 H237 N35 | R 3 2 :H | 20.6365; 20.6365; 44.899 90; 90; 120 | 16559 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551325 | CIF | C218.02 H246.5 Cl1.5 N35 O1.5 | R 3 2 :H | 20.718; 20.718; 44.992 90; 90; 120 | 16725 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551326 | CIF | C216 H237 N35 | R 3 2 :H | 20.6071; 20.6071; 44.949 90; 90; 120 | 16530.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551327 | CIF | C226 H268 Cl6 N35 O8 | R 3 2 :H | 20.5397; 20.5397; 44.747 90; 90; 120 | 16348.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551328 | CIF | C80 H119 Cl2 N12 O9.5 | I 1 2 1 | 21.7305; 19.737; 22.9973 90; 105.506; 90 | 9504.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551329 | CIF | C83 H137 N12 O15 | I 1 2 1 | 21.644; 19.7822; 23.2696 90; 105.704; 90 | 9591.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551330 | CIF | C72 H84 N12 | C 1 2 1 | 33.883; 20.467; 25.712 90; 95.249; 90 | 17756 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551331 | CIF | C155.5 H234 Cl N24 O21.5 | C 1 2 1 | 34.692; 19.8867; 26.6702 90; 93.334; 90 | 18369 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551332 | CIF | C154 H208.5 Cl9 N24 O11.75 | C 1 2 1 | 34.796; 19.8984; 26.7636 90; 93.452; 90 | 18497 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551333 | CIF | C108 H252 N24 O45 | P 3 c 1 | 15.8532; 15.8532; 33.088 90; 90; 120 | 7201.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551384 | CIF | C206 H209 N40 O40 | P 1 | 17.018; 19.782; 33.512 81.76; 88.25; 82.41 | 11067 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551385 | CIF | C206 H210 N40 O40 | P 1 21/c 1 | 24.443; 21.3714; 46.5745 90; 101.926; 90 | 23804.5 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551386 | CIF | C412 H420 N80 O82 | P -1 | 29.18; 31.72; 32.14 69.39; 73.89; 68.09 | 25465 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551387 | CIF | C205 H206 N40 O45 | P -1 | 20.683; 24.6762; 25.9639 117.362; 93.86; 103.065 | 11237.4 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
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