Crystallography Open Database
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Searching year of publication is 2022
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1566287 | CIF | C32 H34 O12 | P 21 21 21 | 7.8346; 15.3938; 24.8916 90; 90; 90 | 3002.03 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566288 | CIF | C32 H34 O11 | P 21 21 21 | 7.03918; 16.93129; 24.57803 90; 90; 90 | 2929.27 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566289 | CIF | C34 H40 O12 S | P 1 21 1 | 12.3621; 11.0513; 13.3183 90; 110.977; 90 | 1698.92 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566290 | CIF | C32 H34 O12 | P 1 21 1 | 7.9321; 10.0348; 18.6923 90; 91.815; 90 | 1487.11 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566291 | CIF | C32 H34 O12 | P 1 21 1 | 8.0867; 10.26; 17.8397 90; 100.578; 90 | 1455 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566292 | CIF | C32 H34 O12 | P 21 21 21 | 6.7227; 17.5115; 24.9638 90; 90; 90 | 2938.85 | Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>. Journal of natural products, 2022, 85, 148-161 |
| 1566293 | CIF | C26 H30 O9 | P 21 21 21 | 8.20954; 13.0261; 22.2179 90; 90; 90 | 2375.94 | Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng <i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds. Journal of natural products, 2022, 85, 248-255 |
| 1566294 | CIF | C26 H30 O8 | P 21 21 21 | 9.14014; 13.23545; 19.4513 90; 90; 90 | 2353.1 | Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng <i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds. Journal of natural products, 2022, 85, 248-255 |
| 1566295 | CIF | C24 H26 O9 | P 21 21 21 | 11.2389; 12.4074; 15.325 90; 90; 90 | 2137 | Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng <i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds. Journal of natural products, 2022, 85, 248-255 |
| 1566296 | CIF | C28 H44 O7 | P 1 21 1 | 11.6684; 8.063; 29.5996 90; 98.518; 90 | 2754.08 | Zhang, Xiuyun; Liu, Yao; Deng, Jili; Xia, Jiankai; Zhang, Qiang; Chen, Xin; Liu, Runze; Gao, Yuqi; Gao, Jin-Ming Structurally Diverse Sesquiterpenoid Glycoside Esters from <i>Pittosporum qinlingense</i> with Anti-neuroinflammatory Activity. Journal of natural products, 2022, 85, 115-126 |
| 1566297 | CIF | C16 H18 O4 | P 1 21 1 | 4.705; 12.2221; 12.1951 90; 99.486; 90 | 691.69 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
| 1566298 | CIF | C18 H24 O3 | P 1 21 1 | 5.832; 11.0477; 24.6078 90; 93.38; 90 | 1582.73 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
| 1566299 | CIF | C16 H18 O4 | I 1 2/a 1 | 15.851; 9.869; 17.994 90; 92.952; 90 | 2811.1 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
| 1566300 | CIF | C14 H14 O4 | P 1 21/c 1 | 14.0059; 12.3372; 7.0592 90; 100.903; 90 | 1197.77 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
| 1566301 | CIF | C14 H16 O3 | P 1 21/c 1 | 14.155; 9.2926; 18.6842 90; 106.042; 90 | 2361.96 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
| 1566302 | CIF | C44 H48 | P 1 21/n 1 | 15.9081; 10.1431; 23.4731 90; 98.646; 90 | 3744.5 | Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals The Journal of Physical Chemistry C, 2022, 126, 1196-1203 |
| 1566303 | CIF | C28 H16 | P 1 21/n 1 | 11.658; 5.99; 13.4368 90; 100.125; 90 | 923.7 | Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals The Journal of Physical Chemistry C, 2022, 126, 1196-1203 |
| 1566304 | CIF | C28 H20 | P -1 | 9.993; 10.043; 10.481 92.172; 104.863; 105.068 | 975.5 | Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals The Journal of Physical Chemistry C, 2022, 126, 1196-1203 |
| 1566305 | CIF | C7 H4 Br N3 O7 | P 1 21/c 1 | 10.5476; 9.05; 11.9209 90; 115.048; 90 | 1030.9 | Childs, Christian M.; Steele, Brad A.; Grivickas, Paulius; Zhang, Dongzhou; Crowhurst, Jonathan; Kuo, I-Feng W.; Bastea, Sorin; Clarke, Samantha M. High-Pressure Investigation of 2,4,6-Trinitro-3-bromoanisole (TNBA): Structural Determination and Piezochromism The Journal of Physical Chemistry C, 2022, 126, 1176-1187 |
| 1566306 | CIF | C6 H10 I4 N2 Pb | P 1 21/c 1 | 12.9783; 14.4105; 8.381 90; 105.605; 90 | 1509.67 | Jia, Qiang-Qiang; Luo, Qing-Feng; Ni, Hao-Fei; Su, Chang-Yuan; Fu, Da-Wei; Xie, Li-Yan; Lu, Hai-Feng High-Sensitivity Organic–Inorganic Hybrid Materials with Reversible Thermochromic Property and Dielectric Switching The Journal of Physical Chemistry C, 2022, 126, 1552-1557 |
| 1566307 | CIF HKL Paper | C8 H11 N O3 | P 1 21/c 1 | 9.915; 7.2523; 11.9573 90; 98.558; 90 | 850.23 | Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef 2-Hydroxybenzenaminium acetate IUCrData, 2022, 7, x220112 |
| 1566308 | CIF | C37 H32 B P S | C 1 c 1 | 20.883; 8.704; 19.093 90; 123.59; 90 | 2891 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566309 | CIF | C21 H16 B N S | P 1 21/c 1 | 8.8; 10.843; 17.829 90; 99.74; 90 | 1676.7 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566310 | CIF | C44.25 H33.51 B2 N3 S2 | P -1 | 10.278; 12.065; 16.702 92.946; 107.906; 114.158 | 1760.3 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566311 | CIF | C41 H37 B2 N3 S2 Si | P -1 | 9.9577; 12.2845; 16.579 100.823; 90.407; 112.635 | 1831.5 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566312 | CIF | C36 H30 B2 S2 | C 1 2/c 1 | 14.644; 11.056; 17.829 90; 94.9; 90 | 2876 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566313 | CIF | C32 H22 B2 S2 | P 1 21 1 | 11.4201; 17.9796; 12.1277 90; 90.12; 90 | 2490.16 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566314 | CIF | C19 H17 B S | P 1 21/c 1 | 13.289; 30.28; 7.763 90; 93.3; 90 | 3119 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566315 | CIF | C38 H26 B2 N4 O2 S2 | P 1 21/n 1 | 13.299; 18.859; 13.574 90; 112.808; 90 | 3138.2 | Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science, 2022, 13, 2932-2938 |
| 1566316 | CIF | C13 H7 F5 O2 | P 1 21/n 1 | 6.327; 26.441; 7.0232 90; 95.01; 90 | 1170.4 | Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals Polymer Chemistry, 2022, 13, 1359-1368 |
| 1566317 | CIF | C13 H7 F5 O2 | P -1 | 5.9872; 7.934; 13.242 105.378; 99.982; 94.446 | 592.3 | Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals Polymer Chemistry, 2022, 13, 1359-1368 |
| 1566318 | CIF | C40 H46 Ag2 N4 S4 | P -1 | 8.165; 15.5778; 16.2365 77.7; 87.359; 83.158 | 2002.9 | Oladipo, Segun D.; Omondi, Bernard N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer Molbank, 2022, 2022, M1327 |
| 1566319 | CIF | C156 H210 Ag6 N12 S12 | R -3 :H | 30.0941; 30.0941; 50.6555 90; 90; 120 | 39730.1 | Oladipo, Segun D.; Omondi, Bernard N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer Molbank, 2022, 2022, M1327 |
| 1566320 | CIF | C10 H5 Cl N2 O2 S3 | P n a 21 | 14.6146; 15.4871; 5.3576 90; 90; 90 | 1212.63 | Plakas, Konstantinos; Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A. Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with 2-(Phenylsulfonyl)acetonitrile Molbank, 2022, 2022, M1322 |
| 1566321 | CIF | C14 H12 Cl2 O2 | P 1 21/c 1 | 8.058; 9.064; 34.864 90; 92.718; 90 | 2543.5 | Aitken, R. Alan; Gidlow, Anna L. G.; Ramsewak, Russel S.; Slawin, Alexandra M. Z. 2,2′-(Ethane-1,2-diyl)bis(4-chlorophenol) Molbank, 2022, 2022, M1318 |
| 1566322 | CIF | C8 H12 Br3 N Pb | P 21 21 21 | 7.9178; 8.1363; 20.5574 90; 90; 90 | 1324.34 | Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3 Molecules, 2022, 27, 728 |
| 1566323 | CIF | C8 H12 Br3 N Pb | P 21 21 21 | 7.8835; 8.068; 20.1237 90; 90; 90 | 1279.95 | Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3 Molecules, 2022, 27, 728 |
| 1566331 | CIF | C24 H29 N O6 | P 1 21 1 | 8.4222; 8.6086; 15.573 90; 93.674; 90 | 1126.77 | You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules Chemical Science, 2022, 13, 2310-2316 |
| 1566332 | CIF | C68 H146 Cr Mo6 N3 O32 | P 1 21/c 1 | 27.8416; 13.6571; 25.0139 90; 92.128; 90 | 9504.6 | Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science, 2022, 13, 2891-2899 |
| 1566333 | CIF | C26 H55 N O13.5 V3 | P 1 21/c 1 | 13.052; 13.4949; 20.5929 90; 104.803; 90 | 3506.8 | Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science, 2022, 13, 2891-2899 |
| 1566334 | CIF | C34.67 H59 B N2 Ni P2 | P 1 21/c 1 | 23.1838; 26.0619; 17.536 90; 101.639; 90 | 10377.6 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566335 | CIF | C30 H50 P2 Pd Si | P -1 | 9.5911; 9.8051; 19.1276 90.444; 94.813; 117.164 | 1592.59 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566336 | CIF | C50 H94 B2 N6 Ni2 P4 | P -1 | 10.5516; 11.9228; 13.7755 103.985; 111.062; 90.654 | 1560 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566337 | CIF | C26 H47 B N2 O2 P2 Pd | P 1 21/c 1 | 12.5308; 15.0351; 15.989 90; 103.614; 90 | 2927.72 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566338 | CIF | C32 H52 B Cl N2 Ni P2 | R -3 c :H | 26.0265; 26.0265; 26.0801 90; 90; 120 | 15299.3 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566339 | CIF | C25 H47 B N2 P2 Pd | P b c a | 11.9139; 14.4308; 32.1655 90; 90; 90 | 5530.12 | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science, 2022, 13, 2391-2404 |
| 1566340 | CIF | C28 H28 O3 S | P 1 21/c 1 | 14.1193; 10.6583; 16.1923 90; 95.636; 90 | 2425 | Wang, Lihong; Ma, Ruiyang; Sun, Jiaqiong; Zheng, GuangFan; Zhang, Qian NHCs and Visible Light-mediated Photoredox Co-catalyzed 1,4-Sulfonylacylation of 1,3-Enynes for Tetrasubstituted Allenyl Ketones Chemical Science, 2022 |
| 1566341 | CIF | C22 H23 Cl2 F6 N3 P Rh | P 1 21/c 1 | 12.804; 13.813; 13.807 90; 95.465; 90 | 2431 | Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J. Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands Polymer Chemistry, 2022, 13, 1411-1421 |
| 1566346 | CIF | C52 H77 B2 Na O6 | P 1 21/c 1 | 12.5628; 13.3264; 15.5838 90; 106.231; 90 | 2505 | Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013 |
| 1566347 | CIF | C55 H65 B2 Cu N2 | C 1 2/c 1 | 13.312; 19.989; 17.2387 90; 96.574; 90 | 4556.9 | Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013 |
| 1566348 | CIF | C55 H65 Ag B2 N2 | C 1 2/c 1 | 13.3073; 20.5224; 17.1012 90; 96.418; 90 | 4641 | Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013 |
| 1566349 | CIF | C55 H65 Au B2 N2 | P b c a | 21.161; 17.679; 25.912 90; 90; 90 | 9694 | Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science, 2022, 13, 3009-3013 |
| 1566350 | CIF | C36 H33 B N4 | P 1 21/n 1 | 14.348; 9.7155; 20.1083 90; 95.494; 90 | 2790.2 | Huang, Huanan; Liu, Lingxiu; Wang, Jianguo; Zhou, Ying; Hu, Huanan; Ye, Xinglin; Liu, Guochang; Xu, Zhixiong; Xu, Han; Yang, Wen; Wang, Yawei; Peng, You; Yang, Pinghua; Sun, Jianqi; Yan, Ping; Cao, Xiaohua; Tang, Ben Zhong Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging Chemical Science, 2022 |
| 1566351 | CIF | C32 H23 B N2 | P 1 21/c 1 | 8.1281; 14.6359; 22.9977 90; 93.688; 90 | 2730.2 | Huang, Huanan; Liu, Lingxiu; Wang, Jianguo; Zhou, Ying; Hu, Huanan; Ye, Xinglin; Liu, Guochang; Xu, Zhixiong; Xu, Han; Yang, Wen; Wang, Yawei; Peng, You; Yang, Pinghua; Sun, Jianqi; Yan, Ping; Cao, Xiaohua; Tang, Ben Zhong Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging Chemical Science, 2022 |
| 1566352 | CIF | C17 H23 F N2 O4 | P 1 21 1 | 10.32624; 15.5828; 11.74267 90; 106.113; 90 | 1815.31 | Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science, 2022 |
| 1566353 | CIF | C20 H31 F N2 O4 | P 61 | 11.8419; 11.8419; 27.2204 90; 90; 120 | 3305.73 | Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science, 2022 |
| 1566354 | CIF | C20 H31 F N2 O4 | P 21 21 21 | 11.50004; 18.45454; 30.36728 90; 90; 90 | 6444.79 | Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science, 2022 |
| 1566355 | CIF | C21 H24 Cl F N2 O4 | P 1 21 1 | 12.8885; 5.3127; 15.1705 90; 95.058; 90 | 1034.72 | Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science, 2022 |
| 1566356 | CIF | C20 H32 N2 O4 | P 61 | 11.84105; 11.84105; 27.02804 90; 90; 120 | 3281.9 | Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science, 2022 |
| 1566357 | CIF | Al2 H4 O9 Si2 | P 1 | 5.185369; 8.997871; 7.347378 91.7552; 105.095; 89.8358 | 330.82 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566358 | CIF | Al2 H4 O9 Si2 | P 1 | 5.210756; 5.189703; 7.581904 89.3723; 72.4369; 119.963 | 166.073 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566359 | CIF | Al2 H4 O9 Si2 | P 1 | 5.162169; 5.176777; 7.781752 104.444; 98.2915; 119.884 | 165.438 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566360 | CIF | Al2 H4 O9 Si2 | P 1 | 5.159081; 8.934001; 14.410312 90; 96.3063; 90 | 660.17 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566361 | CIF | Al2 H4 O9 Si2 | P 1 | 5.185121; 8.939635; 14.188437 90.001; 89.08; 89.9997 | 657.593 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566362 | CIF | Al2 H4 O9 Si2 | P 1 | 8.902908; 5.163177; 14.518933 90.0004; 99.3478; 90 | 658.533 | Richard, D; Rendtorff, N M Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods Applied Clay Science, 2022, 219, 106444-106444 |
| 1566363 | CIF | C18 H21 F4 N3 | P 1 21/n 1 | 9.21581; 14.44752; 13.23644 90; 91.4811; 90 | 1761.78 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Chemo- and regio-divergent access to fluorinated 1-alkyl and 1-acyl triazenes from alkynyl triazenes Chemical Science, 2022 |
| 1566364 | CIF | C15 H21 F2 N3 O | P -1 | 9.5957; 9.9111; 10.2433 104.216; 114.117; 101.164 | 812.95 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Chemo- and regio-divergent access to fluorinated 1-alkyl and 1-acyl triazenes from alkynyl triazenes Chemical Science, 2022 |
| 1566365 | CIF | C42 H71 B2 Cs2 F2 N3 | P 21 21 21 | 10.5055; 17.6861; 24.528 90; 90; 90 | 4557.3 | Kirschner, Sven; Peters, Matthew; Yuan, Kang; Uzelac, Marina; Ingleson, Michael J. Developing organoboranes as phase transfer catalysts for nucleophilic fluorination using CsF Chemical Science, 2022 |
| 1566366 | CIF | C62 H87.79 Cl4 Fe2 N12 O24.9 | P -1 | 11.684; 13.345; 25.013 75.152; 84.913; 87.753 | 3754.5 | Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions, 2022, 234, 109-128 |
| 1566367 | CIF | C152 H197 Cl8 D24 Fe4 N27 O48 | P -1 | 14.2183; 15.72; 21.5627 86.579; 71.452; 72.753 | 4360.5 | Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions, 2022, 234, 109-128 |
| 1566368 | CIF | C62 H90 Cl3 Fe2 N10 O22 | C 1 2/c 1 | 27.9262; 11.108; 22.8446 90; 105.11; 90 | 6841.5 | Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions, 2022, 234, 109-128 |
| 1566369 | CIF | C19 H24 O3 | P 21 21 21 | 9.16551; 10.4822; 17.5734 90; 90; 90 | 1688.36 | Wang, Jianhua; Li, Xiaoxun Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis. Chemical science, 2022, 13, 3020-3026 |
| 1566370 | CIF | C432 H471 Ag38 Au43 Cl12 | R -3 :H | 26.1589; 26.1589; 148.875 90; 90; 120 | 88225 | Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters Chemical Science, 2022 |
| 1566371 | CIF | C324 H251 Ag38 Au43 Cl9 | P -1 | 25.413; 25.542; 28.705 77.099; 83.178; 73.626 | 17394 | Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters Chemical Science, 2022 |
| 1566372 | CIF | C216 H168 Ag20 Au24 Cl4 | P -1 | 18.9562; 19.6527; 33.671 78.295; 79.704; 63.881 | 10971.5 | Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters Chemical Science, 2022 |
| 1566373 | CIF | C288 H312 Ag20 Au24 Cl2 | P -1 | 19.2914; 24.9197; 34.987 97.077; 105.131; 100.118 | 15729 | Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters Chemical Science, 2022 |
| 1566374 | CIF HKL Paper | C28 H16 Cl4 Ni S4 | P -1 | 9.5487; 11.4141; 15.0254 107.486; 94.791; 111.423 | 1419.16 | Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P. Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II) IUCrData, 2022, 7, x220148 |
| 1566375 | CIF HKL Paper | C42 H24 | C 1 2/c 1 | 36.615; 8.0709; 36.282 90; 90.863; 90 | 10720.7 | Schollmeyer, Dieter; Detert, Heiner 13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene) IUCrData, 2022, 7, x220169 |
| 1566376 | CIF | C15 H19 Cl2 Co N3 O | P -1 | 7.3409; 8.2378; 14.1911 77.242; 85.133; 77.261 | 815.8 | Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts Catalysis Science & Technology, 2022, 12, 1843-1849 |
| 1566377 | CIF | C15 H21 Cl2 Co N3 | P 1 21/c 1 | 16.65; 24.8705; 7.9667 90; 90.49; 90 | 3298.8 | Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts Catalysis Science & Technology, 2022, 12, 1843-1849 |
| 1566378 | CIF | C33 H28 F6 S2 | P 21 21 21 | 10.4026; 21.482; 25.657 90; 90; 90 | 5733.5 | Kim, Alexia; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M. Iridium-Catalyzed Asymmetric trans-Selective Hydrogenation of 1,3-Disubstituted Isoquinolines Chemical Science, 2022 |
| 1566379 | CIF | C42 H34 B2 F8 Fe N18 | P -1 | 10.209; 10.4618; 21.8559 82.284; 82.051; 87.374 | 2290.06 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566380 | CIF | C42 H34 F12 Fe N18 P2 | P -1 | 9.8259; 10.8645; 22.6056 101.98; 91.87; 91.858 | 2357.51 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566381 | CIF | C42 H34 B2 F8 Fe N18 | P 1 21/c 1 | 10.1555; 18.7976; 24.3818 90; 99.376; 90 | 4592.3 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566382 | CIF | C42 H34 F12 Fe N18 P2 | P -1 | 9.9994; 11.0389; 22.5035 102.939; 90.267; 90.662 | 2420.69 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566383 | CIF | C46 H42 B2 F8 Fe N14 | I 1 2/a 1 | 22.0537; 9.5781; 22.3969 90; 98.891; 90 | 4674.11 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566384 | CIF | C42 H34 B2 F8 Fe N14 | P 1 21/n 1 | 10.2889; 18.9461; 22.8834 90; 95.792; 90 | 4438 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566385 | CIF | C42 H34 B2 F8 Fe N18 | P -1 | 9.82; 10.0724; 22.5535 92.684; 100.135; 94.567 | 2184.8 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566386 | CIF | C46 H38 B2 F8 Fe N14 | P 1 21/c 1 | 10.4294; 18.5284; 24.7378 90; 99.669; 90 | 4712.4 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566387 | CIF | C42 H34 B2 F8 Fe N14 | P -1 | 10.2254; 10.1492; 21.6116 96.133; 94.628; 93.979 | 2215.84 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566388 | CIF | C42 H34 F12 Fe N18 P2 | P -1 | 10.1721; 11.3235; 22.3862 104.374; 88.492; 88.975 | 2496.15 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566389 | CIF | C42 H34 B2 F8 Fe N18 | P -1 | 9.9373; 10.241; 22.3677 81.92; 80.061; 85.898 | 2217.3 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566390 | CIF | C24 H24 B2 F8 Fe N10 O | C 1 2/c 1 | 20.4712; 17.3086; 18.6657 90; 113.286; 90 | 6075.04 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566391 | CIF | C42 H34 F12 Fe N18 P2 | P 1 21/n 1 | 12.4569; 16.5431; 23.9335 90; 98.279; 90 | 4880.71 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566392 | CIF | C42 H34 F12 Fe N14 P2 | C 1 2/m 1 | 14.9529; 14.8247; 21.0093 90; 95.4899; 90 | 4635.82 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566393 | CIF | C46 H38 F12 Fe N14 P2 | P -1 | 9.8578; 10.9457; 22.5606 100.301; 91.468; 93.516 | 2388.9 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566394 | CIF | C42 H34 B2 F8 Fe N18 | P 1 21/c 1 | 9.9764; 18.0458; 24.6253 90; 97.592; 90 | 4394.48 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566395 | CIF | C46 H42 F12 Fe N14 P2 | P 1 21 1 | 9.0523; 30.808; 18.3037 90; 102.668; 90 | 4980.3 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566396 | CIF | C46 H42 F12 Fe N14 P2 | P 1 21 1 | 9.55236; 18.1504; 15.00388 90; 102.111; 90 | 2543.46 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566397 | CIF | C42 H34 F12 Fe N14 P2 S4 | P 32 2 1 | 14.8052; 14.8052; 19.695 90; 90; 120 | 3738.7 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566398 | CIF | C46 H38 F12 Fe N14 P2 | P -1 | 10.2078; 11.4083; 21.4035 97.221; 96.811; 93.568 | 2447.76 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566399 | CIF | C42 H34 B2 F8 Fe N14 | P 1 21/n 1 | 10.2076; 18.9941; 22.8634 90; 96.403; 90 | 4405.2 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566400 | CIF | C46 H42 F12 Fe N14 P2 | P 1 21 1 | 9.45496; 17.9858; 14.95322 90; 101.545; 90 | 2491.42 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566401 | CIF | C42 H34 B2 F8 Fe N14 | P -1 | 10.0861; 10.1542; 21.849 96.262; 96.2; 93.852 | 2204.26 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566402 | CIF | C46 H38 F12 Fe N14 P2 | P -1 | 9.8294; 22.3967; 22.3209 79.439; 89.335; 89.19 | 4829.9 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
| 1566403 | CIF HKL Paper | C14 H18 N6 O5 S | P 1 21/c 1 | 12.1115; 10.6282; 17.4772 90; 127.723; 90 | 1779.48 | Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina Bis(2-aminobenzimidazolium) sulfate monohydrate IUCrData, 2022, 7, x220172 |
| 1566404 | CIF | C37 H31 F O5 | P 1 21 1 | 10.9625; 9.5991; 14.075 90; 97.804; 90 | 1467.4 | Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes Chemical Science, 2022 |
| 1566405 | CIF | C38 H34 O8 | P 21 21 2 | 15.0488; 25.2228; 8.6864 90; 90; 90 | 3297.1 | Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes Chemical Science, 2022 |
| 1566406 | CIF | C10 H11 Cl F N O2 | P 21 21 21 | 5.1224; 8.268; 24.1637 90; 90; 90 | 1023.38 | Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science, 2022, 13, 3027-3034 |
| 1566407 | CIF | C22 H18 Cl F7 N4 O2 S | P 1 21/n 1 | 9.4276; 19.5575; 50.822 90; 93.634; 90 | 9351.7 | Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science, 2022, 13, 3027-3034 |
| 1566408 | CIF | C15 H16 O2 | C 1 c 1 | 8.7883; 12.6773; 10.4803 90; 99.097; 90 | 1152.94 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566409 | CIF | C17 H18 Br N O | P 1 21/c 1 | 19.7377; 9.5738; 7.613 90; 99.09; 90 | 1420.52 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566410 | CIF | C16 H18 O | P 1 21/n 1 | 7.2763; 13.1879; 12.6095 90; 94.179; 90 | 1206.78 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566411 | CIF | C18 H21 N O2 | P -1 | 7.2466; 8.3731; 12.6472 95.047; 96.626; 94.254 | 756.54 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566412 | CIF | C25 H32 O2 | P 1 21 1 | 12.196; 6.2725; 13.2067 90; 97.53; 90 | 1001.59 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566413 | CIF | C20 H17 N O | P 21 21 21 | 6.55952; 7.19955; 33.374 90; 90; 90 | 1576.11 | Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis Chemical Science, 2022 |
| 1566414 | CIF | C20 H22 N4 S2 Zn | C 1 2 1 | 38.805; 6.6795; 16.442 90; 91.833; 90 | 4259.6 | Koskela, Kristopher M.; Quiton, Stephen J.; Sharada, Shaama Mallikarjun; Williams, Travis J.; Brutchey, Richard L. Kinetics and mechanistic details of bulk ZnO dissolution using a thiol–imidazole system Chemical Science, 2022 |
| 1566415 | CIF | C92 H120 B20 Co2 Cs2 O4 P4 | P 1 21/n 1 | 12.1327; 17.926; 22.865 90; 103.927; 90 | 4826.7 | Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes Chemical Science, 2022 |
| 1566416 | CIF | C254 H332 B60 Co4 N7 O14 P12 Th2 | C 1 2/c 1 | 70.509; 17.5517; 23.4008 90; 108.146; 90 | 27519 | Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes Chemical Science, 2022 |
| 1566417 | CIF | C154 H129 B30 Co3 N8 Nd O6 P6 | P c c n | 19.004; 23.285; 36.829 90; 90; 90 | 16297 | Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes Chemical Science, 2022 |
| 1566418 | CIF | C42 H67 B10 N O2 P2 | P -1 | 11.082; 11.112; 37.623 93.075; 96.139; 101.822 | 4495 | Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes Chemical Science, 2022 |
| 1566419 | CIF | C154 H204 B30 Co3 N8 O6 P6 Sm | P 1 21/c 1 | 19.0168; 23.3163; 36.48 90; 90.563; 90 | 16174.5 | Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes Chemical Science, 2022 |
| 1566420 | CIF | C25 H33 N O6 S Si | P -1 | 9.1233; 11.1747; 13.3729 92.8956; 109.796; 90.2891 | 1280.81 | Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes Chemical Science, 2022 |
| 1566421 | CIF | C16 H22 O4 Si | P 1 21/c 1 | 8.6905; 16.3296; 11.4842 90; 98.168; 90 | 1613.22 | Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes Chemical Science, 2022 |
| 1566422 | CIF | C23 H29 N O6 S Si | C 1 2/c 1 | 45.775; 5.703; 18.31 90; 99.58; 90 | 4713.3 | Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes Chemical Science, 2022 |
| 1566423 | CIF | C23 H29 N O5 S Si | P 1 21 1 | 8.92; 18.338; 14.723 90; 99.61; 90 | 2374.5 | Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes Chemical Science, 2022 |
| 1566424 | CIF HKL Paper | C23 H19 N O5 | P 1 21/n 1 | 9.7089; 14.351; 14.2749 90; 106.946; 90 | 1902.6 | Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate IUCrData, 2022, 7, x220199 |
| 1566425 | CIF HKL Paper | C10 H13 Cl N3 O3 P | P 1 21/c 1 | 11.5857; 7.0616; 16.6118 90; 108.222; 90 | 1290.92 | Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D. 5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride IUCrData, 2022, 7, x220189 |
| 1566426 | CIF | C21 H17 F3 O3 S2 | P 1 21/n 1 | 8.8793; 13.4651; 16.2393 90; 94.659; 90 | 1935.17 | Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium Chemical Science, 2022 |
| 1566427 | CIF | C30 H29 N O S | P 31 2 1 | 10.0094; 10.0094; 42.946 90; 90; 120 | 3726.2 | Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium Chemical Science, 2022 |
| 1566428 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566429 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566430 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566431 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566432 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566433 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566434 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566435 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566436 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566437 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566438 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566439 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566440 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566441 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566442 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566443 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566444 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566445 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566446 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566447 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566448 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566449 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566450 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566451 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566452 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566453 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566454 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566456 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566457 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566458 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566459 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566460 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566461 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566462 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566463 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566464 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566465 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566466 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566467 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566468 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566469 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566470 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566471 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566472 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566473 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566474 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566475 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566476 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566477 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566478 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566479 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566480 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566481 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566482 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566483 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566484 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566485 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566486 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566487 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566488 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566489 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566490 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566491 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566492 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566493 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566494 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566495 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566496 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566497 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566498 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
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