Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1566280 | CIF | C20 H14 N2 O S | P 1 21/c 1 | 15.662; 10.0274; 10.2923 90; 104.545; 90 | 1564.59 | Gao, Yang; Yang, Simin; She, Minwei; Nie, Jianhong; Huo, Yanping; Chen, Qian; Li, Xianwei; Hu, Xiao-Qiang Practical synthesis of 3-aryl anthranils via an electrophilic aromatic substitution strategy Chemical Science, 2022 |
| 1566281 | CIF | C43 H62 F6 N4 O5.5 P | P -1 | 13.1015; 13.9905; 14.3129 103.697; 99.4485; 117.548 | 2142.83 | Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P. Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging. Journal of medicinal chemistry, 2022, 65, 811-823 |
| 1566282 | CIF | C32 H34 O11 | P 1 | 7.3468; 9.587; 10.3986 71.686; 80.813; 86.65 | 686.37 | 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 |
| 1566283 | CIF | C33 H40 O14 | P 1 | 7.2806; 9.8268; 11.0309 85.062; 88.911; 86.614 | 784.83 | 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 |
| 1566284 | CIF | C32 H34 O12 | P 1 21 1 | 14.3066; 7.5865; 14.8171 90; 113.339; 90 | 1476.62 | 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 |
| 1566285 | CIF | C36 H42 O14 | P 21 21 21 | 7.4273; 17.5037; 25.5651 90; 90; 90 | 3323.6 | 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 |
| 1566286 | CIF | C36 H42 O14 | P 1 21 1 | 10.0366; 10.7583; 15.9163 90; 95.435; 90 | 1710.86 | 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 |
| 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 |
| 1566324 | CIF | O37.895 S U6 | P -1 | 8.8556; 13.9819; 14.307 96.749; 98.754; 99.726 | 1706.9 | Jakub Plasil; Jiri Sejkora; Radek Skoda; Pavel Skacha The recent weathering of uraninite from the Cervena vein, Jachymov (Czech Republic): a fingerprint of the primary mineralization geochemistry onto the alteration association Journal of GeoSciences, 2014, 59, 223-253 |
| 1566325 | CIF | K0.68 Mo2.08 Na4.32 O22 S0.42 U4 | C 1 2/c 1 | 24.282; 12.117; 13.6174 90; 106.33; 90 | 3844.9 | Sergey V. Krivovichev K2Na8(UO2)8Mo4O24[(S,Mo)O4], the first uranium molybdosulfate: synthesis, crystal structure, and comparison to related compounds Journal of GeoSciences, 2014, 59, 115-121 |
| 1566326 | CIF | K1.5 O21 Se3 U2 | P 1 21/m 1 | 12.001; 13.613; 13.753 90; 109.187; 90 | 2122 | Vladislav V. Gurzhiy; Olga V. Tyumentseva; Ilya V. Kornyakov; Sergey V. Krivovichev; Ivan G. Tananaev The role of potassium atoms in the formation of uranyl selenates: the crystal structure and synthesis of two novel compounds Journal of GeoSciences, 2014, 59, 123-133 |
| 1566327 | CIF | H20 K5 N O45 Se6 U4 | C 1 2/c 1 | 20.29; 10.38; 21.436 90; 103.446; 90 | 4390.9 | Vladislav V. Gurzhiy; Olga V. Tyumentseva; Ilya V. Kornyakov; Sergey V. Krivovichev; Ivan G. Tananaev The role of potassium atoms in the formation of uranyl selenates: the crystal structure and synthesis of two novel compounds Journal of GeoSciences, 2014, 59, 123-133 |
| 1566328 | CIF | Cl H4 Na7 O20 S4 U | C 1 2/c 1 | 21.1507; 5.3469; 34.6711 90; 104.913; 90 | 3788.9 | Jakub Plasil; Anthony R. Kampf; Anatoly V. Kasatkin; Joe Marty Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA Journal of GeoSciences, 2014, 59, 145-158 |
| 1566329 | CIF | Ca H6 O19 V6 | A 1 2/m 1 | 12.208; 3.6011; 18.358 90; 118.538; 90 | 709 | Mark A. Cooper; Frank C. Hawthorne; Vladimir Y. Karpenko; Leonid A. Pautov; Atali A. Agakhanov Metahewettite, Ca(V5+6O16)(H2O)3, from Hodzha-Rushnai-Mazar, southern Kirgizia: occurrence and crystal structure Journal of GeoSciences, 2014, 59, 159-168 |
| 1566330 | CIF | As3 Cl O12 Pb5 Si0 | P 63/m | 10.237; 10.237; 7.426 90; 90; 120 | 673.955 | Jiri Sejkora; Jakub Plasil; Ivana Cisarova; Radek Skoda; Jan Hlousek; Frantisek Veselovsky; Ivana Jebava Interesting supergene Pb-rich mineral association from the Rovnost mining field, Jachymov (St. Joachimsthal), Czech Republic Journal of GeoSciences, 2011, 56, 257-271 |
| 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 |
| 1566342 | CIF | Al1.88 Ca2 Fe0.12 H2 O12 Si3 | P 2 c m | 4.63309; 5.4839; 18.51 90; 90; 90 | 470.291 | Sugiyama, K.; Kawamata, T.; Kuribayashi, T. Structure refinement of prehnite from Passaic County, New Jersey, USA Journal of Mineralogical and Petrological Sciences, 2021, 116, 272-276 |
| 1566343 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.368; 10.724; 5.1121 90; 90; 90 | 458.8 | Okamoto, K.; Kuribayashi, T.; Nagase, T. Modulated structure of hemimorphite associated with pressure-induced phase transition Journal of Mineralogical and Petrological Sciences, 2021, 116, 251-262 |
| 1566344 | CIF | H4 O10 Si2 Zn4 | P n n 2 | 8.1577; 10.642; 5.0473 90; 90; 90 | 438.2 | Okamoto, K.; Kuribayashi, T.; Nagase, T. Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.01 GPa Journal of Mineralogical and Petrological Sciences, 2021, 116, 251-262 |
| 1566345 | CIF | H4 O10 Si2 Zn4 | P n n 2 | 8.0987; 10.549; 5.0288 90; 90; 90 | 429.63 | Okamoto, K.; Kuribayashi, T.; Nagase, T. Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.72 GPa Journal of Mineralogical and Petrological Sciences, 2021, 116, 251-262 |
| 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 |
| 1566499 | 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 |
| 1566500 | 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 |
| 1566501 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566502 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566503 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566504 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566505 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566506 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566507 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566508 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566509 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566510 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566511 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566512 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566513 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566514 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566515 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566516 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566517 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566518 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566519 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566520 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
| 1566521 | CIF | C64 H86 Cl2 N6 O6 | P 31 | 20.2894; 20.2894; 13.6577 90; 90; 120 | 4869.1 | Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science, 2022 |
| 1566522 | CIF | C69 H96 N6 O6 | R 3 :H | 20.366; 20.366; 13.791 90; 90; 120 | 4953.79 | Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science, 2022 |
| 1566523 | CIF | C66 H90 N6 O6 | R 3 :H | 20.3338; 20.3338; 13.7372 90; 90; 120 | 4918.88 | Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science, 2022 |
| 1566524 | CIF | C74 H104 Ga2 N8 Sb2 | P -1 | 10.4552; 11.9732; 14.9227 93.2189; 97.3354; 107.995 | 1753.06 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566525 | CIF | C66 H102 Ga2 N4 O2 Sb2 Si | C 1 2/c 1 | 59.557; 11.8135; 21.011 90; 108.078; 90 | 14053 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566526 | CIF | C78 H116 Ga2 N6 Sb2 Si | P -1 | 10.919; 14.343; 26.014 83.994; 78.718; 88.053 | 3973 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566527 | CIF | C64.5 H98 Cl2 Ga2 N4 Sb2 Si | P 1 21/c 1 | 19.7547; 10.5843; 33.512 90; 96.97; 90 | 6955.2 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566528 | CIF | C71.5 H103 Ga2 N7 Sb2 | P 1 21/c 1 | 19.9634; 12.5667; 29.4717 90; 109.028; 90 | 6989.7 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566529 | CIF | C65 H103 Ga2 N7 Sb2 Si | P 1 21 1 | 10.7967; 21.163; 15.164 90; 96.979; 90 | 3439.2 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566530 | CIF | C79 H117 Ga2 N7 Sb2 | P 1 21/n 1 | 10.9672; 45.894; 15.2335 90; 94.502; 90 | 7643.8 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566531 | CIF | C72.5 H102 F3 Ga2 N7 Sb2 | P -1 | 10.6581; 12.7136; 27.5744 102.129; 92.993; 98.869 | 3595.5 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566532 | CIF | C78 H119 F3 Ga2 N7 Sb2 | P 1 21/n 1 | 12.1758; 27.211; 24.248 90; 99.805; 90 | 7916.4 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566533 | CIF | C68 H110 Ga2 N8 Sb2 Si2 | P 1 21/n 1 | 11.889; 18.46; 33.366 90; 96.36; 90 | 7278 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566534 | CIF | C81 H112 Ga2 N8 Sb2 | P -1 | 11.6222; 17.8727; 19.5796 108.099; 90.076; 93.817 | 3856.2 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566535 | CIF | C77 H110 Ga2 N8 Sb2 | P 1 21/c 1 | 13.6969; 28.763; 20.711 90; 94.587; 90 | 8133.3 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566536 | CIF | C84 H108 Ga2 N6 Sb4 | P -1 | 12.0886; 12.3645; 14.1831 86.028; 75.849; 74.786 | 1983.54 | Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides Chemical Science, 2022 |
| 1566537 | CIF | C44 H45 F6 N6 P Ru2 | P 1 21/n 1 | 12.6141; 12.2041; 27.463 90; 98.846; 90 | 4177.47 | Bellini, Marco; Bösken, Jonas; Bartoli, Francesco; Miller, Hamish; Thöny, Debora; Poggini, Lorenzo; Wörle, Michael; Oberhauser, Werner; Gamboa-Carballo, Juan José; Lavacchi, Alessandro; Krumeich, Frank; Grützmacher, Hansjörg; Vizza, Francesco Remarkable Stability of a Molecular Ruthenium Complex in PEM Water Electrolysis Chemical Science, 2022 |
| 1566538 | CIF | C36 H35 B F4 N2 O Ru2 | P -1 | 9.5469; 10.1082; 17.4002 78.96; 76.819; 85.773 | 1603.87 | Bellini, Marco; Bösken, Jonas; Bartoli, Francesco; Miller, Hamish; Thöny, Debora; Poggini, Lorenzo; Wörle, Michael; Oberhauser, Werner; Gamboa-Carballo, Juan José; Lavacchi, Alessandro; Krumeich, Frank; Grützmacher, Hansjörg; Vizza, Francesco Remarkable Stability of a Molecular Ruthenium Complex in PEM Water Electrolysis Chemical Science, 2022 |
| 1566539 | CIF | C37 H33 N | C 1 2/c 1 | 35.402; 9.1778; 17.961 90; 110.844; 90 | 5453.8 | Duan, Shengzu; Zi, Yujin; Wang, Lingling; Cong, Jielun; Chen, Wen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick α-Branched Amines through Radical Coupling with 2-Azaallyl Anions, Redox Active Esters and Alkenes Chemical Science, 2022 |
| 1566540 | CIF | C21 H15 Cl F3 N3 O2 | P 1 21/n 1 | 15.287; 15.859; 17.629 90; 114.523; 90 | 3888 | Yang, Hefei; Wang, Le-Cheng; Zhang, Yu; Zheng, Dongling; Chen, Zhengkai; Wu, Xiao-Feng Controllable access to trifluoromethyl-containing indoles and indolines: Palladium-catalyzed regioselective functionalization of unactivated alkenes with trifluoroacetimidoyl chlorides Chemical Science, 2022 |
| 1566541 | CIF | C22 H15 F3 N3 O | P 1 21/c 1 | 15.6657; 33.014; 7.2436 90; 98.651; 90 | 3703.7 | Yang, Hefei; Wang, Le-Cheng; Zhang, Yu; Zheng, Dongling; Chen, Zhengkai; Wu, Xiao-Feng Controllable access to trifluoromethyl-containing indoles and indolines: Palladium-catalyzed regioselective functionalization of unactivated alkenes with trifluoroacetimidoyl chlorides Chemical Science, 2022 |
| 1566542 | CIF | C492 H528 N48 O60 | P 3 c 1 | 32.5182; 32.5182; 51.424 90; 90; 120 | 47092 | Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis Chemical Science, 2022 |
| 1566543 | CIF | C280 H320 N32 O40 | P 1 | 28.4101; 30.2731; 32.7364 82.444; 81.795; 63.273 | 24818 | Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis Chemical Science, 2022 |
| 1566544 | CIF | C28 H28 Br Cl Cu N6 O2 | P 1 21/c 1 | 16.1127; 8.9758; 19.2463 90; 103.825; 90 | 2702.85 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566545 | CIF | C28 H28 Cl Cu N6 O1.5 | P 1 21/c 1 | 15.0147; 34.2629; 10.2999 90; 107.565; 90 | 5051.7 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566546 | CIF | C32 H39 Cl3 Cu N8 O3 | P 1 | 7.2313; 9.2604; 14.1201 78.16; 77.214; 70.423 | 859.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566547 | CIF | C60 H63 Br2 Cl N14 Ni O4 | P -1 | 9.7632; 15.6735; 19.622 87.172; 75.925; 85.319 | 2901.4 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566548 | CIF | C33 H39 Cl Cu N8 O3 | C 1 2/c 1 | 37.667; 10.5159; 19.22 90; 118.948; 90 | 6661.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566549 | CIF | C26 H23 Br N6 O | P -1 | 12.22; 12.7328; 16.424 76.485; 82.598; 67.698 | 2296.6 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566550 | CIF | C12 H16 N2 O2 | P -1 | 7.7366; 7.9072; 10.7395 99.872; 102.594; 113.64 | 562.21 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566551 | CIF | C17 H29 N O | P 1 21 1 | 7.18; 4.628; 48.944 90; 92.55; 90 | 1624.8 | Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>. Journal of natural products, 2022, 85, 375-383 |
| 1566552 | CIF | C17 H31 N O3 | P 1 21 1 | 12.37896; 5.01515; 13.9105 90; 99.1891; 90 | 852.51 | Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>. Journal of natural products, 2022, 85, 375-383 |
| 1566553 | CIF | C16 H27 N O | P 21 21 21 | 5.1556; 9.493; 31.8376 90; 90; 90 | 1558.2 | Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>. Journal of natural products, 2022, 85, 375-383 |
| 1566554 | CIF | C16 H25 N O | P 21 21 21 | 5.0809; 9.5095; 31.1268 90; 90; 90 | 1503.95 | Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>. Journal of natural products, 2022, 85, 375-383 |
| 1566555 | CIF | C21 H22 O8 S | P 1 21/c 1 | 9.3577; 25.184; 9.0558 90; 96.873; 90 | 2118.8 | Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152. Journal of natural products, 2022, 85, 433-440 |
| 1566556 | CIF | C9 H9 N O3 S | P 21 21 21 | 8.2204; 8.5993; 13.4964 90; 90; 90 | 954.06 | Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152. Journal of natural products, 2022, 85, 433-440 |
| 1566557 | CIF | C19 H20 O8 S | P -1 | 8.1509; 10.0095; 12.0777 106.945; 90.36; 90.567 | 942.51 | Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152. Journal of natural products, 2022, 85, 433-440 |
| 1566558 | CIF | C21 H22 O9 S | P -1 | 8.1167; 9.0623; 15.8947 86.54; 87.286; 65.417 | 1060.92 | Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152. Journal of natural products, 2022, 85, 433-440 |
| 1566559 | CIF | Bi O2 | P 1 21/m 1 | 11.6212; 3.4067; 7.3247 90; 99.9889; 90 | 285.589 | Feng, Xuezhen; Zou, Haiyuan; Zheng, Renji; Wei, Wenfei; Wang, Ranhao; Zou, Wensong; Lim, Gukhyun; Hong, Jihyun; Duan, Lele; Chen, Hong Bi<sub>2</sub>O<sub>3</sub>/BiO<sub>2</sub> Nanoheterojunction for Highly Efficient Electrocatalytic CO<sub>2</sub> Reduction to Formate. Nano letters, 2022, 22, 1656-1664 |
| 1566560 | CIF HKL Paper | C6 H13 Cl6 N3 O2 Sn | P -1 | 7.4224; 7.4518; 8.4986 105.726; 97.426; 112.383 | 403.85 | Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine 4-Amidinopyridinium hexachloridostannate(IV) dihydrate IUCrData, 2022, 7, x220195 |
| 1566561 | CIF HKL Paper | C10 H14 Cl10 N4 O2 Sn | P -1 | 7.4624; 8.4715; 10.1324 101.434; 90.043; 107.554 | 597.34 | Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate IUCrData, 2022, 7, x220191 |
| 1566562 | CIF | C34 H38 Au2 O4 P2 S2 | P 1 21/n 1 | 11.7462; 39.197; 15.6529 90; 107.882; 90 | 6858.7 | Duminy, Welni; Pillay, Michael N.; van Zyl, Werner E. Silver(I) and Gold(I) Monothiocarbonate Complexes: Synthesis, Structure, Luminescence Inorganics, 2022, 10, 19 |
| 1566563 | CIF | C17 H22 O10 | P 21 21 21 | 7.776; 8.6993; 26.8196 90; 90; 90 | 1814.23 | Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1 Marine Drugs, 2022, 20, 162 |
| 1566564 | CIF | C1.21 H1.21 O0.6 | P 21 21 21 | 7.776; 8.6993; 26.8196 90; 90; 90 | 1814.23 | Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1 Marine Drugs, 2022, 20, 162 |
| 1566565 | CIF | C13.25 H13.25 O13.25 | P 21 21 21 | 7.776; 8.6993; 26.8196 90; 90; 90 | 1814.23 | Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1 Marine Drugs, 2022, 20, 162 |
| 1566566 | CIF | C17 H22 O10 | P 21 21 21 | 7.776; 8.6993; 26.8196 90; 90; 90 | 1814.23 | Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1 Marine Drugs, 2022, 20, 162 |
| 1566567 | CIF | C36 H31 N5 O | P -1 | 7.8563; 9.2517; 21.803 95.923; 98.136; 96.538 | 1547.1 | Guillon, Jean; Savrimoutou, Solène; Albenque-Rubio, Sandra; Pinaud, Noël; Moreau, Stéphane; Desplat, Vanessa Synthesis, Crystal Structure and Anti-Leukemic Activity of 1,3-Dihydro-1-{1-[4-(4-phenylpyrrolo[1,2-a]quinoxalin-3-yl)benzyl]piperidin-4-yl}-2H-benzimidazol-2-one Molbank, 2022, 2022, M1333 |
| 1566568 | CIF | C80 H110 Cu4 O2 P6 | P 1 21/n 1 | 17.127; 19.946; 23.841 90; 105.715; 90 | 7840 | Dannenberg, Steven G.; Waterman, Rory Cyclo-Tetrakis(μ-diphenylphosphido)-1,5-bis(tri-tert-butylphosphine)-Tetracopper Molbank, 2022, 2022, M1334 |
| 1566569 | CIF | C28 H37 Cl4 I N2 S | P 1 21/n 1 | 10.5912; 18.7089; 16.071 90; 102.093; 90 | 3113.8 | Saab, Marina; Nahra, Fady; Van Hecke, Kristof Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride Molbank, 2022, 2022, M1344 |
| 1566570 | CIF | C30 H42 Cl3 I N2 Se | P 1 21/n 1 | 9.741; 16.9218; 19.8068 90; 97.399; 90 | 3237.67 | Saab, Marina; Nahra, Fady; Van Hecke, Kristof Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride Molbank, 2022, 2022, M1344 |
| 1566571 | CIF | C20 H24 N6 O4 | P -1 | 9.6243; 9.859; 12.5952 68.645; 72.467; 75.23 | 1047.06 | Lopes, Susana M. M.; Lemos, Américo; Paixão, José A.; Pinho e Melo, Teresa M. V. D. Ethyl 7-Acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a-hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate Molbank, 2022, 2022, M1338 |
| 1566572 | CIF | C26 H31 N O12 | P 1 21 1 | 10.1989; 8.7455; 15.8721 90; 99.068; 90 | 1398.01 | Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V. (1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate Molbank, 2022, 2022, M1337 |
| 1566573 | CIF | C13 H13 Cl N2 | P 1 21/c 1 | 9.4547; 16.2237; 7.9004 90; 104.169; 90 | 1174.98 | Adeleke, Adesola A.; Omondi, Bernard Crystal Structure of a Chiral Sec-Amine, 4-Chloro-N-(1-(pyridin-2-yl)ethyl)aniline Molbank, 2022, 2022, M1335 |
| 1566574 | CIF | C11 H10 N4 O3 | C 1 c 1 | 23.794; 5.347; 8.9367 90; 96.216; 90 | 1130.3 | Pokhodylo, Nazariy T.; Slyvka, Yuriy I.; Goreshnik, Evgeny A.; Obushak, Mykola D. Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation Molbank, 2022, 2022, M1340 |
| 1566575 | CIF | C14 H16 Co N2 O12 | P 1 21/n 1 | 6.9863; 23.7443; 10.6564 90; 100.456; 90 | 1738.38 | Xia, Zhengyao; Li, Yan; Ji, Cheng; Jiang, Yucheng; Ma, Chunlan; Gao, Ju; Zhang, Jinlei Slow-Relaxation Behavior of a Mononuclear Co(II) Complex Featuring Long Axial Co-O Bond. Nanomaterials (Basel, Switzerland), 2022, 12, 707 |
| 1566576 | CIF | C70 H81 B N2 O4 | P 1 21/c 1 | 25.398; 21.296; 11.522 90; 96.49; 90 | 6192 | Han, Jianmei; Huang, Zhongyan; Miao, Jingsheng; Qiu, Yuntao; Xie, Ziyang; Yang, Chuluo Narrowband blue emission with insensitivity to the doping concentration from an oxygen-bridged triarylboron-based TADF emitter: nondoped OLEDs with a high external quantum efficiency up to 21.4% Chemical Science, 2022 |
| 1566577 | CIF | C20 H46 Cl N2 P2 Re | P 1 21/n 1 | 8.5852; 23.581; 12.2292 90; 92.515; 90 | 2473.39 | Connor, Gannon P.; Delony, Daniel; Weber, Jeremy E.; Mercado, Brandon Q.; Curley, Julia B.; Schneider, Sven; Mayer, James M.; Holland, Patrick L. Facile conversion of ammonia to a nitride in a rhenium system that cleaves dinitrogen Chemical Science, 2022 |
| 1566578 | CIF | C54 H67 B Cl F24 N3 O0.5 P2 Re | P -1 | 12.2681; 15.3208; 17.9247 92.777; 109.357; 97.022 | 3140.5 | Connor, Gannon P.; Delony, Daniel; Weber, Jeremy E.; Mercado, Brandon Q.; Curley, Julia B.; Schneider, Sven; Mayer, James M.; Holland, Patrick L. Facile conversion of ammonia to a nitride in a rhenium system that cleaves dinitrogen Chemical Science, 2022 |
| 1566579 | CIF | C14 H22 O | P 41 | 10.0087; 10.0087; 12.7456 90; 90; 90 | 1276.78 | Pan, Aaron; Chojnacka, Maja; Crowley, Robert; Göttemann, Lucas; Haines, Brandon E.; Kou, Kevin G. M. Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers Chemical Science, 2022 |
| 1566580 | CIF | C261 H476 Ag55 Cu3 F3 Mo8 O38 S43 | P -1 | 23.3674; 23.7497; 38.3998 73.33; 75.236; 73.633 | 19233.6 | Gao, Jin-Ping; Qi, Zhikai; Zhang, Fu-Qiang; Zhang, Xian-Ming In situ insertion of copper to form heteroanionic D3h-symmetric [Cu3Mo8O32]10− for a templated Ag55 nanocluster Nanoscale, 2022 |
| 1566581 | CIF Paper | C68.39 H67.65 Cl6 N12 O4 Zn3 | C 1 2/c 1 | 33.3132; 14.4948; 31.7714 90; 102.245; 90 | 14992.4 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566582 | CIF | C68.62 H68.92 Cl6 N12 O4 Zn3 | C 1 2/c 1 | 33.306; 14.488; 31.8026 90; 102.247; 90 | 14996.7 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566583 | CIF | C54.5 H43 I6 N12 O4 Zn3 | C 1 2/c 1 | 34.4866; 14.9746; 31.0009 90; 101.933; 90 | 15663.6 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566584 | CIF | C55 H42 I6 N12 O4 Zn3 | C 1 2/c 1 | 34.4862; 15.0052; 31.125 90; 101.958; 90 | 15756.8 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566585 | CIF | C63 H78 I6 N12 Zn3 | C 1 2/c 1 | 34.5713; 15.1587; 29.5198 90; 100.649; 90 | 15203.6 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566586 | CIF | C64.69 H81.39 I6 N12 Zn3 | C 1 2/c 1 | 34.595; 15.1725; 29.535 90; 100.647; 90 | 15235.8 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566587 | CIF | C25 H21 F3 N2 O3 S | P 1 21/c 1 | 15.2479; 19.58181; 16.7407 90; 116.095; 90 | 4488.95 | Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins Chemical Science, 2022 |
| 1566588 | CIF | C36 H32 F3 N O5 S | C 1 2 1 | 29.3277; 7.49483; 18.2663 90; 124.382; 90 | 3313.6 | Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins Chemical Science, 2022 |
| 1566589 | CIF | C33 H34 Cl N O2 | P 1 21 1 | 11.1324; 7.5493; 16.7445 90; 90.526; 90 | 1407.18 | Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins Chemical Science, 2022 |
| 1566590 | CIF | C30 H29 Cl N2 O3 | P 21 21 21 | 12.3663; 16.7129; 25.3786 90; 90; 90 | 5245.17 | Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins Chemical Science, 2022 |
| 1566591 | CIF | C25 H25 O2 P | P 21 21 21 | 5.89107; 16.00327; 22.3169 90; 90; 90 | 2103.96 | Zhang, Ya-Qian; Zhang, Qingwei; Han, Xue-Yu; Wu, Yue; Qi, Peng-Jia; Zhang, Qing Ni-Catalyzed Asymmetric Hydrophosphinylation of Conjugated Enynes and Mechanistic Studies Chemical Science, 2022 |
| 1566592 | CIF | C23 H22 O3 S | P 1 | 7.2748; 12.2905; 12.5063 63.599; 79.446; 75.302 | 965.6 | Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality Chemical Science, 2022 |
| 1566593 | CIF | C20 H20 N2 O S | P 1 21 1 | 11.0831; 6.8389; 12.0729 90; 109.142; 90 | 864.48 | Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality Chemical Science, 2022 |
| 1566594 | CIF HKL Paper | C15 H26 I N3 O6 | P 1 21 1 | 10.816; 7.0106; 13.169 90; 106.833; 90 | 955.8 | Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan 1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate IUCrData, 2022, 7, x220265 |
| 1566595 | CIF HKL Paper | C77 H83 Cl4 K Mn N6 O8 S | P b c a | 19.5585; 24.7224; 29.8538 90; 90; 90 | 14435.3 | Yuan, Yiwen; Li, Jianfeng ([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate IUCrData, 2022, 7, x220241 |
| 1566596 | CIF HKL Paper | C17 H15 B F4 N2 | P 1 21/n 1 | 11.426; 9.0735; 15.5434 90; 102.118; 90 | 1575.54 | Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W. 1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate IUCrData, 2022, 7, x220248 |
| 1566597 | CIF | C28 H24 O6 S2 | P 21 21 21 | 9.2608; 14.3014; 18.9339 90; 90; 90 | 2507.65 | Hu, Linfeng; Li, Jinzhao; Zhang, Yongyan; Feng, Xiaoming; Liu, Xiaohua Enantioselective [1,2]-Stevens Rearrangement of Thiosulfonates to Construct Dithio-Substituted Quaternary Carbon Centers Chemical Science, 2022 |
| 1566598 | CIF | C33 H43 Cl2 Cr N2 O2 | P -1 | 16.326; 16.389; 16.464 70.953; 89.935; 71.859 | 3932.2 | Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO Polymer Chemistry, 2022, 13, 1852-1860 |
| 1566599 | CIF | C31 H37 Cl2 Cr F2 N2 O2 | P 1 21/c 1 | 14.4764; 14.5398; 15.5208 90; 109.539; 90 | 3078.75 | Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO Polymer Chemistry, 2022, 13, 1852-1860 |
| 1566600 | CIF | C36 H48 Ca Gd K O3 | P 1 21/c 1 | 9.2772; 13.9703; 26.2056 90; 90.079; 90 | 3396.4 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566601 | CIF | C36 H48 Ca Er K O3 | P 1 21/c 1 | 9.2555; 13.9514; 26.113 90; 90.709; 90 | 3371.6 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566602 | CIF | C36 H48 Ca Dy K O3 | P 1 21/c 1 | 9.2628; 13.9533; 26.1417 90; 90.377; 90 | 3378.7 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566603 | CIF | C36 H48 Ca Ho K O3 | P 1 21/c 1 | 9.2613; 13.9568; 26.1226 90; 90.566; 90 | 3376.4 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566604 | CIF | C36 H48 Ca K O3 Tm | P 1 21/c 1 | 9.2649; 13.9648; 26.111 90; 90.8583; 90 | 3377.9 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566605 | CIF | C36 H48 Ca K O3 Tb | P 1 21/c 1 | 9.2738; 13.9561; 26.155 90; 90.302; 90 | 3385.1 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566606 | CIF | C36 H48 Ca K O3 Yb | P 1 21/c 1 | 9.2602; 13.9561; 26.1046 90; 90.935; 90 | 3373.2 | Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies Chemical Science, 2022 |
| 1566607 | CIF | C92 H166 Fe N4 O28 Si16 | P 21 21 21 | 16.2474; 17.2899; 46.6858 90; 90; 90 | 13114.8 | Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli Chiral Molecular Nanosilicas Chemical Science, 2022 |
| 1566608 | CIF | C92 H182 Fe N4 O32 Si16 | P 1 21 1 | 16.9205; 17.5657; 21.7093 90; 90.98; 90 | 6451.5 | Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli Chiral Molecular Nanosilicas Chemical Science, 2022 |
| 1566609 | CIF | C76.5 Fe N4 O27.5 S2 Si16 | I 1 2 1 | 37.4731; 17.2234; 42.6209 90; 103.053; 90 | 26797.4 | Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli Chiral Molecular Nanosilicas Chemical Science, 2022 |
| 1566610 | CIF | Cl Ga6 K3 Mn2 S12 | P 3 1 c | 10.9208; 10.9208; 6.1774 90; 90; 120 | 638.04 | Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions. Materials horizons, 2022, 9, 1513-1517 |
| 1566611 | CIF | C28 H41 F O4 | P 1 21 1 | 10.3779; 7.2974; 33.47 90; 98.797; 90 | 2504.9 | Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters Chemical Science, 2022 |
| 1566612 | CIF | C26 H39 F O4 | C 1 2 1 | 14.7648; 6.0876; 26.974 90; 96.281; 90 | 2409.9 | Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters Chemical Science, 2022 |
| 1566613 | CIF | C227 H209 Ag6 Au19 B2 F8 O17 P6 S17 | P -1 | 20.4536; 20.7898; 33.6586 72.945; 82.104; 63.917 | 12289 | Shi, Wan-Qi; Guan, Zong-Jie; Li, Jiao-Jiao; Han, Xu-Shuang; Wang, Quan-Ming Site-Specified Doping of Silver Atoms into Au25 Nanocluster as Directed by Ligand Binding Preference Chemical Science, 2022 |
| 1566614 | CIF | C66 H72 N4 Ni Si4 | P -1 | 11.7807; 11.8079; 22.9033 80.502; 78.053; 71.215 | 2934.25 | Shimamoto, Kento; Sunada, Yusuke Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster Chemical Science, 2022 |
| 1566615 | CIF | C34 H29 N2 Si2 | P -1 | 10.31; 12.326; 12.941 77.219; 79.312; 79.801 | 1560 | Shimamoto, Kento; Sunada, Yusuke Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster Chemical Science, 2022 |
| 1566616 | CIF | C83 H103 N7 Ni5 Si4 | P -1 | 13.9645; 14.7686; 24.4091 89.5959; 79.412; 63.052 | 4394.3 | Shimamoto, Kento; Sunada, Yusuke Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster Chemical Science, 2022 |
| 1566617 | CIF | C73 H85 N5 Ni2 Si4 | P -1 | 14.392; 22.272; 22.51 97.75; 95.438; 102.855 | 6912 | Shimamoto, Kento; Sunada, Yusuke Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster Chemical Science, 2022 |
| 1566618 | CIF | C35 H48 N P | P -1 | 10.677; 11.8045; 12.4452 96.831; 101.037; 111.157 | 1405.1 | Chen, Zicong; Gu, Changxue; Yuen, On Ying; So, Chau Ming Palladium-catalyzed chemoselective direct α-arylation of carbonyl compounds with chloroaryl triflates at the C–Cl site Chemical Science, 2022 |
| 1566619 | CIF | C42 H34 B F3 P2 Se | P -1 | 9.6724; 12.8821; 14.5407 84.961; 77.687; 74.085 | 1701.43 | Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S. Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity Chemical Science, 2022 |
| 1566620 | CIF | C43 H39 B F3 O3 P2 Rh | P -1 | 9.1533; 13.0253; 33.273 83.172; 88.634; 79.181 | 3868.8 | Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S. Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity Chemical Science, 2022 |
| 1566621 | CIF | C36.96 H31.91 B0.95 F2.87 I0.05 P2 Se0.95 | P n a 21 | 14.5444; 19.8328; 11.0256 90; 90; 90 | 3180.4 | Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S. Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity Chemical Science, 2022 |
| 1566622 | CIF | C15 H16 B F3 K O0.5 P | P -1 | 5.6907; 21.5917; 26.847 78.455; 89.976; 89.948 | 3232 | Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S. Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity Chemical Science, 2022 |
| 1566623 | CIF | C91 H144 O10 | P -1 | 11.9787; 17.3956; 22.0177 110.06; 90.8994; 101.377 | 4207.6 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566624 | CIF | C16 H16 F10 O2 | P 1 21/a 1 | 11.164; 5.0419; 15.9267 90; 91.317; 90 | 896.2 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566625 | CIF | C108 H108 F60 O12 | C 1 2/c 1 | 69.979; 13.9205; 24.2019 90; 96.4154; 90 | 23428.5 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566626 | CIF | C81 H94 F30 O10 | P 1 21/a 1 | 23.6441; 22.5243; 31.147 90; 95.0726; 90 | 16522.9 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566627 | CIF | C91 H94 F50 O10 | P -1 | 20.9282; 22.7403; 24.2682 98.976; 98.951; 114.017 | 10108.6 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566628 | CIF | C90.65 H93.56 F50 O10 | P 1 21/n 1 | 22.9793; 21.8597; 40.474 90; 102.22; 90 | 19870 | Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors Chemical Science, 2022 |
| 1566629 | CIF | C18 H26 Cd N4 O6 P2 S4 | P -1 | 7.2387; 9.6411; 10.4545 81.448; 75.399; 70.165 | 662.56 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1566630 | CIF | C26 H42 Cd N4 O6 P2 S4 | P -1 | 9.9154; 12.3655; 15.4749 106.08; 99.172; 91.827 | 1794.03 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1566631 | CIF | C22 H34 Cd N4 O6 P2 S4 | P -1 | 9.0611; 9.2065; 10.5703 82.436; 77.672; 64.113 | 774.27 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1566632 | CIF | C78 H78 N6 O3 | P -1 | 14.2538; 17.1903; 17.3592 79.038; 72.546; 68.828 | 3767.7 | Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells Energy & Environmental Science, 2022, 15, 1630-1637 |
| 1566633 | CIF | C15 H15 N3 O S | P 1 21/n 1 | 6.6492; 13.731; 15.329 90; 101.032; 90 | 1373.7 | Kshtriya, Vivekshinh; Koshti, Bharti; Mehmood, Tahir; Singh, Ramesh; Joshi, Khashti Ballabh; Bandyopadhyay, Sujoy; Boukhvalov, Danil W.; Reddy, J. Prakasha; Gour, Nidhi A new aggregation induced emission enhancement (AIEE) dye which self-assembles to panchromatic fluorescent flowers and has application in sensing dichromate ions. Soft matter, 2022, 18, 3019-3030 |
| 1566634 | CIF | D2 O | F d -3 m :2 | 6.356; 6.356; 6.356 90; 90; 90 | 256.774 | Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H. Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate Nature Communications, 2020, 11, 464 |
| 1566635 | CIF | D2 O | F d -3 m :2 | 6.37451; 6.37451; 6.37451 90; 90; 90 | 259.024 | del Rosso, L.; Celli, M.; Grazzi, F.; Catti, M.; Hansen, T. C.; Fortes, A. D.; Ulivi, L. Cubic ice Ic without stacking defects obtained from ice XVII Nature Materials, 2020, 19, 663 |
| 1566636 | CIF | D2 O | R -3 :H | 12.91771; 12.91771; 6.22087 90; 90; 120 | 898.99 | Lobban, C.; Finney, J. L.; Kuhs, W. F. The p-T dependency of the ice II crystal structure and the effect of helium inclusion The Journal of Chemical Physics, 2002, 117, 3928 |
| 1566637 | CIF | D2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304 | Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A. Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction The Journal of Chemical Physics, 1971, 55, 1934 |
| 1566638 | CIF | D2 O | P 41 21 2 | 6.676; 6.676; 6.955 90; 90; 90 | 309.98 | Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics, 2000, 112, 7169 |
| 1566639 | CIF | D2 O | A 1 2/a 1 | 9.0926; 7.5409; 10.2547 90; 109.144; 90 | 664.24 | Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics, 2000, 112, 7169 |
| 1566640 | CIF | D2 O | R -3 c :H | 8.67849; 8.67849; 17.0181 90; 90; 120 | 1110.02 | Lobban, C. Neutron diffraction studies of ices Ph.D. Thesis, The University of London, 1998, 209 |
| 1566641 | CIF | D2 O | P 42/n m c :2 | 6.21; 6.21; 5.73 90; 90; 90 | 220.972 | Kuhs, W. F.; Ahsbahs, H.; Londono, D.; Finney, J. L. In-situ crystal growth and neutron four-circle diffractometry under high pressure Physica B: Condensed Matter, 1989, 684 |
| 1566642 | CIF | D2 O | P n -3 m :2 | 3.344; 3.344; 3.344 90; 90; 90 | 37.39 | Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics, 1984, 81, 3612 |
| 1566643 | CIF | D2 O | I 41/a m d :2 | 4.669; 4.669; 6.81 90; 90; 90 | 148.46 | Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics, 1984, 81, 3612 |
| 1566644 | CIF | D2 O | P 41 21 2 | 6.73; 6.73; 6.83 90; 90; 90 | 309.4 | La Placa, S. J.; Hamilton, W. C.; Kamb, B.; Prakash, A. On a nearly proton-ordered structure for ice IX The Journal of Chemical Physics, 1973, 58, 567 |
| 1566645 | CIF | D2 O | C m c 21 | 4.5019; 7.7978; 7.328 90; 90; 90 | 257.25 | Leadbetter, A. J.; Ward, R. C.; Clark, J. W.; Tucker, P. A.; Matsuo, T.; Suga, H. The equilibrium low-temperature structure of ice The Journal of Chemical Physics, 1985, 82, 424 |
| 1566646 | CIF | D2 O | I -4 2 d | 8.304; 8.304; 4.024 90; 90; 90 | 277.481 | Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure of a new phase of ice Nature, 1998, 391, 268 |
| 1566647 | CIF | D2 O | P 1 21/a 1 | 9.2417; 7.4724; 10.297 90; 109.687; 90 | 669.521 | Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L. The preparation and structures of hydrogen ordered phases of ice Science, 2006, 311, 1758 |
| 1566648 | CIF | D2 O | P 21 21 21 | 8.3499; 8.1391; 4.0825 90; 90; 90 | 277.449 | Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L. The preparation and structures of hydrogen ordered phases of ice Science, 2006, 311, 1758 |
| 1566649 | CIF | D2 O | P -1 | 6.23416; 6.21697; 5.83377 90.033; 89.922; 89.999 | 226.103 | Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J. Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition The Journal of Chemical Physics, 2016, 145, 204501 |
| 1566650 | CIF | D2 O | P m m n :2 | 6.245; 6.242; 5.77577 90; 90; 90 | 225.15 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566651 | CIF | D2 O | F d -3 m :2 | 17.124; 17.124; 17.124 90; 90; 90 | 5021.29 | Falenty, A.; Hansen, T. C.; Kuhs, W. F. Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate Nature, 2014, 516, 231 |
| 1566652 | CIF | D2 O | P 61 2 2 | 6.32849; 6.32849; 6.05472 90; 90; 120 | 210.003 | del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L. Refined structure of metastable ice XVII from neutron diffraction measurements The Journal of Physical Chemistry C, 2016, 120, 26955 |
| 1566653 | CIF | D2 O | P -4 | 8.61942; 8.61942; 5.59301 90; 90; 90 | 415.529 | Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H. Experimental evidence for the existence of a second partially-ordered phase of ice VI Nature Communications, 2021, 12, 1129 |
| 1566654 | CIF | D2 O | P c c 2 | 8.6278; 8.6114; 5.59299 90; 90; 90 | 415.54 | Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H. Experimental evidence for the existence of a second partially-ordered phase of ice VI Nature Communications, 2021, 12, 1129 |
| 1566655 | CIF | D2 O | P -4 | 8.834721; 8.834721; 5.75542 90; 90; 90 | 449.224 | Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T. Structural characterization of ice XIX as the second polymorph related to ice VI Nature Communications, 2021, 12, 1128 |
| 1566656 | CIF | D2 O | P b c n | 8.3966; 5.4546; 8.3737 90; 90; 90 | 383.52 | Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L. Structure and nature of ice XIX Nature Communications, 2021, 12, 3162 |
| 1566657 | CIF | D2 O | P 41 21 2 | 6.6925; 6.6925; 6.7152 90; 90; 90 | 300.771 | Londono, J. D.; Kuhs, W. F.; Finney, J. L. Neutron diffraction studies of ices III and IX on under-pressure and recovered samples The Journal of Chemical Physics, 1993, 98, 4878 |
| 1566658 | CIF | D2 O | I 41/a m d :2 | 4.6779; 4.6779; 6.8029 90; 90; 90 | 148.87 | Jorgensen, J. D.; Beyerlein, R. A.; Watanabe, N.; Worlton, T. G. Structure of D2O ice VIII from in situ powder neutron diffraction The Journal of Chemical Physics, 1984, 81, 3211 |
| 1566659 | CIF | D2 O | P 42/n m c :2 | 6.1812; 6.1812; 5.698 90; 90; 90 | 217.7 | Kuhs, W.F.; Finney, J.L.; Vettier, C.; Bliss, D.V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction The Journal of Chemical Physics, 1984, 81, 3612 |
| 1566660 | CIF | D2 O | P 42/n m c :2 | 6.2446; 6.2446; 5.76203 90; 90; 90 | 224.691 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566661 | CIF | D2 O | I 41/a m d :2 | 4.4493; 4.4493; 6.413 90; 90; 90 | 126.95 | Besson, J. M.; Pruzan, Ph.; Klotz, S.; Hamel, G.; Silvi, B.; Nelmes, R. J.; Loveday, J. S.; Wilson, R. M.; Hull, S. Variation of interatomic distances in ice VIII to 10 GPa Physical Review B, 1984, 49, 12540 |
| 1566662 | CIF | D2 O | I 41/a m d :2 | 4.39005; 4.39005; 6.303 90; 90; 90 | 121.475 | Komatsu, K.; Klotz, S.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Kagi, H. Anomalous hydrogen dynamics of the ice VII-VIII transition revealed by high-pressure neutron diffraction Proceedings of the National Academy of Sciences, 2020, 117, 6356 |
| 1566663 | CIF | C36 H37 K N3 O3 P2 Ru S | P c a 21 | 12.6529; 18.7504; 15.5836 90; 90; 90 | 3697.2 | Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A. Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation Catalysis Science & Technology, 2022, 12, 2972-2977 |
| 1566664 | CIF | C100 H83 N6 O3 P6 Ru2 | P 1 21/c 1 | 14.8971; 22.753; 28.6172 90; 100.332; 90 | 9542.6 | Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A. Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation Catalysis Science & Technology, 2022, 12, 2972-2977 |
| 1566665 | CIF | C51 H48 Cl N4 O2 P3 Ru | P b c n | 25.849; 19.5041; 21.0152 90; 90; 90 | 10595 | Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A. Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation Catalysis Science & Technology, 2022, 12, 2972-2977 |
| 1566666 | CIF | C23 H27 B O3 | P n a 21 | 12.912; 10.1397; 15.597 90; 90; 90 | 2042 | Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic Mimicry of Formaldehyde-Induced DNA–Protein Crosslinks in the Confined Space of Metal–Organic Framework Chemical Science, 2022 |
| 1566667 | CIF | C23 H27 B O3 | P 1 21/n 1 | 12.4943; 9.9586; 16.762 90; 95.6616; 90 | 2075.5 | Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic Mimicry of Formaldehyde-Induced DNA–Protein Crosslinks in the Confined Space of Metal–Organic Framework Chemical Science, 2022 |
| 1566668 | CIF | C16 H29 N O6 S | P 21 21 21 | 5.46991; 10.15896; 34.3303 90; 90; 90 | 1907.69 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566669 | CIF | C18 H22 O2 S | P n a 21 | 9.3374; 6.0661; 28.5106 90; 90; 90 | 1614.89 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566670 | CIF | C15 H20 Cl N O3 S | P -1 | 5.0188; 9.6241; 16.1198 89.487; 85.132; 82.136 | 768.5 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566671 | CIF | C10 H18 O4 S2 | P 1 21/n 1 | 6.4691; 11.4368; 8.7387 90; 102.114; 90 | 632.143 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566672 | CIF | C11 H14 O3 S | P -1 | 5.72076; 8.13039; 11.8424 91.8184; 91.4466; 103.412 | 535.219 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566673 | CIF | C10 H11 F O3 S | P 1 c 1 | 5.7165; 12.1828; 14.7356 90; 91.722; 90 | 1025.77 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566674 | CIF | C15 H27 N O6 S | P 1 21/c 1 | 11.1742; 16.6182; 10.3665 90; 116.394; 90 | 1724.34 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566675 | CIF | C10 H18 O4 S2 | P 1 21/c 1 | 6.09765; 8.92648; 22.0926 90; 91.4743; 90 | 1202.11 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566676 | CIF | C15 H17 N O2 S | P 1 21/c 1 | 9.0612; 15.82137; 10.2622 90; 114.837; 90 | 1335.12 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566677 | CIF | C25 H30 O8 S | P 1 21 1 | 10.04584; 19.87397; 12.32816 90; 95.9688; 90 | 2447.98 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science, 2022 |
| 1566678 | CIF | C23 H27 B O3 | P n a 21 | 12.912; 10.1397; 15.597 90; 90; 90 | 2042 | wu, Fu-Peng; Wu, Xiao-Feng Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones Chemical Science, 2022 |
| 1566679 | CIF | C23 H27 B O3 | P 1 21/n 1 | 12.4943; 9.9586; 16.762 90; 95.6616; 90 | 2075.5 | wu, Fu-Peng; Wu, Xiao-Feng Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones Chemical Science, 2022 |
| 1566680 | CIF | C50.5 H47 Co O3 P2 | P 1 21/n 1 | 9.9652; 18.349; 23.3602 90; 96.462; 90 | 4244.3 | Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries Catalysis Science & Technology, 2022, 12, 3219-3227 |
| 1566681 | CIF | C45 H32 Co2 O7 P2 | P -1 | 10.8578; 11.6947; 17.4282 106.744; 95.84; 112.496 | 1900.9 | Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries Catalysis Science & Technology, 2022, 12, 3219-3227 |
| 1566682 | CIF | C16 H19 N O6 S | P 21 21 21 | 8.0346; 12.621; 16.5455 90; 90; 90 | 1677.79 | Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones Chemical Science, 2022 |
| 1566683 | CIF | C16 H19 N O6 S | P 1 21 1 | 10.1269; 8.043; 10.8756 90; 114.408; 90 | 806.66 | Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones Chemical Science, 2022 |
| 1566684 | CIF | C17 H26 F6 N3 O7 S2 | P 1 21 1 | 11.0402; 9.5966; 12.5085 90; 115.079; 90 | 1200.32 | Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones Chemical Science, 2022 |
| 1566685 | CIF | C16 H20 N2 O6 S | P 21 21 21 | 8.1051; 14.1921; 15.2659 90; 90; 90 | 1756.01 | Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones Chemical Science, 2022 |
| 1566686 | CIF | C160 H218 N8 O49 S8 | P 1 21 1 | 13.5261; 12.674; 25.4683 90; 99.78; 90 | 4302.6 | Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones Chemical Science, 2022 |
| 1566687 | CIF | C1220 H968 B11.95 Cu24 F47.82 N52 O104 | P 1 21/n 1 | 18.838; 32.458; 64.439 90; 94.55; 90 | 39277 | Domoto, Yuya; Yamamoto, Kidai; Horie, Shumpei; Yu, Zhengsu; Fujita, Makoto Multiplication of weak chiral inductions for excellent control over the helical orientation of discrete topologically chiral (M3L2)n polyhedra Chemical Science, 2022 |
| 1566688 | CIF | C29.4 H40.8 Cl8.8 N2 P2 Pd | P 1 21/n 1 | 15.262; 12.8154; 20.9917 90; 108.535; 90 | 3892.8 | Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias (In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes Catalysis Science & Technology, 2022, 12, 3175-3189 |
| 1566689 | CIF | C26 H40 B2 N2 P2 | P -1 | 9.1591; 11.3142; 15.1394 103.273; 102.525; 105.201 | 1408 | Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias (In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes Catalysis Science & Technology, 2022, 12, 3175-3189 |
| 1566690 | CIF | C28 H34 F6 N2 O6 P2 Pd S2 | P -1 | 11.2734; 12.1729; 13.5903 73.9005; 72.8892; 73.6404 | 1671.4 | Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias (In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes Catalysis Science & Technology, 2022, 12, 3175-3189 |
| 1566691 | CIF | C17 H21 B F2 N4 O | P 21 21 21 | 8.9883; 11.1112; 17.485 90; 90; 90 | 1746.2 | Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung A molecular recognition platform for the simultaneous sensing of diverse chemical weapons Chemical Science, 2022 |
| 1566692 | CIF | C15 H19 B F2 N4 | P 41 | 10.5675; 10.5675; 13.404 90; 90; 90 | 1496.9 | Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung A molecular recognition platform for the simultaneous sensing of diverse chemical weapons Chemical Science, 2022 |
| 1566693 | CIF | C16 H17 B F2 N4 O | P -1 | 6.9141; 9.2485; 12.7582 93.651; 101.649; 97.353 | 789.08 | Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung A molecular recognition platform for the simultaneous sensing of diverse chemical weapons Chemical Science, 2022 |
| 1566694 | CIF | C83 H135 As7 K La2 O6 Si8 | P -1 | 15.7346; 18.2731; 19.7473 106.435; 102.572; 100.222 | 5139 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566695 | CIF | C96 H164 As14 Ce2 K2 O12 Si8 | P -1 | 11.223; 16.579; 18.693 72.888; 89.816; 73.008 | 3166 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566696 | CIF | C80 H132 As7 K Nd2 O6 Si8 | P -1 | 15.6899; 18.4469; 20.1223 111.299; 104.839; 100.119 | 5006.3 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566697 | CIF | C77 H129 As3 K Nd2 O6 Si8 | P -1 | 11.7764; 17.4676; 26.292 84.855; 79.39; 71.581 | 5040.7 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566698 | CIF | C58 H102 As7 K2 Nd O12 Si4 | P 1 21/n 1 | 14.2709; 31.995; 17.4941 90; 98.678; 90 | 7896.3 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566699 | CIF | C77 H132 As7 Ce2 K O6 Si8 | P 1 21/n 1 | 20.0117; 18.0444; 27.5019 90; 96.273; 90 | 9871.5 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566700 | CIF | C74 H138 As14 K2 Nd2 O12 Si8 | C 1 2/c 1 | 41.591; 13.2497; 19.5306 90; 95.516; 90 | 10712.9 | Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W. From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides Chemical Science, 2022 |
| 1566701 | CIF | C43 H40 Au N O6 | P 21 21 21 | 9.9306; 13.2468; 27.4297 90; 90; 90 | 3608.3 | Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis Chemical Science, 2022 |
| 1566702 | CIF | C38 H24 N O2 P | P 21 21 21 | 11.8935; 12.6595; 18.8734 90; 90; 90 | 2841.7 | Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis Chemical Science, 2022 |
| 1566703 | CIF | C41.17 H29.17 Au Cl3.5 N O3 | P 21 21 21 | 12.999; 13.954; 22.15 90; 90; 90 | 4018 | Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis Chemical Science, 2022 |
| 1566704 | CIF | C42 H32 Au Cl4 N O3 | P 21 21 21 | 12.578; 13.7123; 21.0398 90; 90; 90 | 3628.8 | Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis Chemical Science, 2022 |
| 1566705 | CIF | C42 H36 Au N O5 | P 21 21 21 | 9.9266; 13.1669; 27.3976 90; 90; 90 | 3580.9 | Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis Chemical Science, 2022 |
| 1566706 | CIF | H66 Mo60 Na8 O187 | I 41/a c d :2 | 23.5571; 23.5571; 61.035 90; 90; 90 | 33870.6 | Li, xuexin; Ji, Tuo; Gao, Jun-Yang; Chen, Wei-Chao; Yuan, Ye; Sha, Haoyan; Faller, Roland; Shan, Guo-Gang; Shao, Kui-Zhan; Wang, Xinlong; Su, Zhong-Min An Unprecedented Fully Reduced {MoV60} Polyoxometalate: From All-Inorganic Molecular Light-Absorber Model to Improved Photoelectronic Performance Chemical Science, 2022 |
| 1566707 | CIF | C54.5 H53 B Cl P2 S | P -1 | 8.8424; 11.4067; 24.8662 81.957; 80.897; 69.046 | 2303.2 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566708 | CIF | C29.25 H31.5 B Cl0.5 F4 P2 Pt S | P b a m | 20.9374; 10.9959; 14.9555 90; 90; 90 | 3443.14 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566709 | CIF | C28 H28 Cl O P2 Rh S | P 21 21 21 | 10.4581; 14.2792; 17.4031 90; 90; 90 | 2598.86 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566710 | CIF | C54 H53 B Cl P2 Rh S | P 1 21/n 1 | 10.9915; 34.1432; 12.5533 90; 99.76; 90 | 4642.9 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566711 | CIF | C45.5 H36 Cl F7 P3 Rh S | P -1 | 9.1404; 12.3384; 19.4965 102.063; 92.077; 103.656 | 2080.95 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566712 | CIF | C43 H32 F4 O3 P2 S2 | P 1 21/n 1 | 12.4956; 28.031; 12.6611 90; 119.324; 90 | 3866.48 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566713 | CIF | C56 H59 B P2 Pt S | P 1 21/c 1 | 16.6775; 15.3273; 19.3126 90; 102.496; 90 | 4819.76 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566714 | CIF | C47 H35 F13 N2 O8 P2 Pt S5 | P 1 21/c 1 | 23.6369; 12.7303; 18.9449 90; 98.297; 90 | 5640.95 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566715 | CIF | C32 H39 B2 F8 N O2 P2 Pt S | P -1 | 10.727; 13.1882; 15.143 65.687; 75.111; 75.546 | 1861.41 | Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri Sulfonium cations as versatile strongly π-acidic ligands Chemical Science, 2022 |
| 1566716 | CIF | D2 O | P n -3 m :2 | 3.3501; 3.3501; 3.3501 90; 90; 90 | 37.5987 | Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics, 1985, 83, 329-333 |
| 1566717 | CIF | D0.24 Fe0.95 Si0.05 | P 63/m m c | 2.54579; 2.54579; 4.1282 90; 90; 120 | 23.171 | Mori, Y.; Kagi, H.; Kakizawa, S.; Komatsu, K.; Shito, C.; Iizuka-Oku, R.; Aoki, K.; Hattori, T.; Sano-Furukawa, A.; Funakoshi, K.; Saitoh, H. Neutron diffraction study of hydrogen site occupancy in Fe0.95Si0.05 at 14.7 GPa and 800 K Journal of Mineralogical and Petrological Sciences, 2021, 1136, 309-313 |
| 1566718 | CIF HKL Paper | C21 H18 N2 O | C 1 2/c 1 | 30.3989; 8.7177; 14.0581 90; 115.367; 90 | 3366.3 | Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R. (<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one IUCrData, 2022, 7, x220283 |
| 1566719 | CIF | C20 H56 Bi2 Br10 N4 | P -1 | 12.4378; 13.2166; 14.021 97.835; 93.139; 90.289 | 2279.7 | Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap Chemical Science, 2022 |
| 1566720 | CIF | C20 H56 Ag Bi Br8 N4 | P -1 | 8.4797; 8.7683; 13.9411 73.253; 88.908; 87.415 | 991.56 | Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap Chemical Science, 2022 |
| 1566721 | CIF | C20 Ag Bi Br8 N8 | C m m m | 8.774; 27.47; 8.771 90; 90; 90 | 2114 | Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap Chemical Science, 2022 |
| 1566722 | CIF | C25 H69 Br9 N5 Pb2 | P -1 | 11.996; 13.422; 17.477 72.658; 70.158; 77.179 | 2503.7 | Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap Chemical Science, 2022 |
| 1566723 | CIF | C25 H70 Br9 N5 Pb2 | P -1 | 11.975; 13.366; 17.472 72.618; 70.213; 77.258 | 2488.9 | Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap Chemical Science, 2022 |
| 1566724 | CIF | C23 H23 Cl N2 O2 | P 1 21 1 | 9.6064; 7.9331; 13.748 90; 101.106; 90 | 1028.09 | Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction Chemical Science, 2022 |
| 1566725 | CIF | C23 H23 Cl N2 O2 | P 21 21 21 | 9.2992; 18.0846; 24.744 90; 90; 90 | 4161.26 | Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction Chemical Science, 2022 |
| 1566726 | CIF | C23 H23 Cl N2 O2 | P 21 21 21 | 9.11893; 17.37833; 50.2087 90; 90; 90 | 7956.66 | Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction Chemical Science, 2022 |
| 1566727 | CIF | C23 H30 N4 O2 | P 1 21/c 1 | 16.0767; 12.9097; 10.9767 90; 99.712; 90 | 2245.51 | Zhan, Yi-Zhou; Meng, Huan; Shu, Wei Rapid Access to t-Butylalkylated Olefins Enabled by Ni-Catalyzed Intermolecular Regio- and trans-Selective Cross-Electrophile t-Butylalkylation of Alkynes Chemical Science, 2022 |
| 1566728 | CIF HKL Paper | C15 H14 Cl N5 O2 | P 1 21 1 | 7.1533; 11.936; 9.004 90; 98.128; 90 | 761.1 | Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen 4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one IUCrData, 2022, 7, x220342 |
| 1566729 | CIF HKL Paper | C16 H9 N O2 S | P 1 21/c 1 | 4.60717; 20.7275; 12.6444 90; 91.911; 90 | 1206.81 | Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G. 3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one IUCrData, 2022, 7, x220332 |
| 1566730 | CIF | C61 H45 Cl3 | P -1 | 13.1323; 14.2033; 14.7079 94.606; 111.041; 97.973 | 2510.43 | Bergman, Harrison; Beattie, D. Dawson; Kiel, Gavin R.; Handford, Rex; Liu, Yi; Tilley, T. Don A sequential cyclization/π-extension strategy for modular construction of nanographenes enabled by stannole cycloadditions Chemical Science, 2022 |
| 1566731 | CIF | C22 H9 Br N4 S | P -1 | 7.5508; 8.0138; 8.139 85.38; 77.75; 75.07 | 464.86 | Liu, Kun; Li, Shuai; Fu, Liyuan; Lei, Yilong; Liao, Qing; Fu, Hongbing Cocrystallization Tailoring Radiative Decay Pathways for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence Emission Nanoscale, 2022 |
| 1566732 | CIF | C22 H9 Br N4 S | P 1 21/c 1 | 7.4921; 8.1212; 30.277 90; 92.33; 90 | 1840.7 | Liu, Kun; Li, Shuai; Fu, Liyuan; Lei, Yilong; Liao, Qing; Fu, Hongbing Cocrystallization Tailoring Radiative Decay Pathways for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence Emission Nanoscale, 2022 |
| 1566733 | CIF | C32 H28 N2 O5 S | P -1 | 7.2319; 11.7336; 16.6396 102.141; 94.257; 104.092 | 1327.08 | Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase. Journal of agricultural and food chemistry, 2022, 70, 3435-3446 |
| 1566734 | CIF | C29 H22 N2 O4 S | P b c a | 9.6146; 15.9025; 29.7245 90; 90; 90 | 4544.8 | Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase. Journal of agricultural and food chemistry, 2022, 70, 3435-3446 |
| 1566735 | CIF | C22 H22 Cl F3 N4 O | C 1 2/c 1 | 19.4942; 8.0752; 27.7657 90; 102.868; 90 | 4261.09 | Sun, Susu; Chen, Lai; Huo, Jingqian; Wang, Ying; Kou, Song; Yuan, Shitao; Fu, Yining; Zhang, Jinlin Discovery of Novel Pyrazole Amides as Potent Fungicide Candidates and Evaluation of Their Mode of Action. Journal of agricultural and food chemistry, 2022, 70, 3447-3457 |
| 1566736 | CIF | C15 H14 O3 | P 21 21 21 | 5.5437; 8.4551; 52.42 90; 90; 90 | 2457.06 | Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor. Journal of medicinal chemistry, 2022, 65, 4832-4853 |
| 1566737 | CIF | C108.96 H78.42 Cl1.5 N5 O12 | P -1 | 10.4997; 15.5071; 35.5889 83.392; 82.236; 71.57 | 5430.8 | Loong, Hao; Zhou, Jiadong; Jiang, Nianqiang; Feng, Yi; Xie, Guojing; Liu, Linlin; Xie, Zengqi Photoinduced Cascading Charge Transfer in Perylene Bisimide-Based Triads. The journal of physical chemistry. B, 2022, 126, 2441-2448 |
| 1566738 | CIF | C46 H31 N3 O2 | P 1 21/c 1 | 12.1514; 26.995; 10.64 90; 99.479; 90 | 3442.6 | Dey, Suvendu; Hasan, Monirul; Shukla, Atul; Acharya, Nirmalya; Upadhyay, Manoj; Lo, Shih-Chun; Namdas, Ebinazar B.; Ray, Debdas Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Asymmetric Phenoxazine-Quinoline (D2–A) Conjugates and Dual Electroluminescence The Journal of Physical Chemistry C, 2022, 126, 5649-5657 |
| 1566739 | CIF | C17 H15 N O2 | P 21 21 21 | 6.562; 14.232; 14.4563 90; 90; 90 | 1350.1 | Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M. Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines Chemical Science, 2022, 13, 3227-3232 |
| 1566740 | CIF | C20 H10 B11 Cl11 F6 | C 1 2 1 | 21.8423; 11.6968; 19.7476 90; 98.58; 90 | 4988.8 | Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V. Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity Chemical Science, 2022 |
| 1566741 | CIF | C24.5 H17 B11 Cl12.5 F2 | P -1 | 12.5709; 13.3424; 23.0855 83.592; 88.189; 73.431 | 3688.1 | Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V. Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity Chemical Science, 2022 |
| 1566742 | CIF | C23 H16 O | P -1 | 10.9971; 21.3867; 28.861 76.152; 85.884; 86.204 | 6565.14 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566743 | CIF | C45 H34 O2 | P -1 | 10.26982; 12.9; 13.4161 101.787; 98.9295; 108.913 | 1598.21 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566744 | CIF | C41 H26 O | P -1 | 10.4122; 11.1627; 14.3485 103.578; 103.147; 112.391 | 1402.62 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566745 | CIF | C77 H89 Ni O3 P2 | P -1 | 10.9952; 14.137; 21.6909 104.76; 97.213; 100.584 | 3151.76 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566746 | CIF | C69 H76 Ni O P2 | P 1 21/c 1 | 33.7405; 13.5307; 24.6084 90; 105.039; 90 | 10849.8 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566747 | CIF | C43 H30 O | P 1 21/n 1 | 13.0907; 10.1466; 22.1188 90; 94.055; 90 | 2930.6 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566748 | CIF | C29.5 H32 N2 Ni O3 | P 1 21/c 1 | 19.0889; 15.9034; 18.9504 90; 106.854; 90 | 5505.8 | Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems Chemical Science, 2022 |
| 1566749 | CIF | C12 H4 F6 N2 | P 1 21/n 1 | 4.487; 9.3652; 13.1716 90; 97.27; 90 | 549.04 | Peng, Hang; Qi, Jun-Chao; Song, Xian-Jiang; Xiong, Ren-Gen; Liao, Wei-Qiang An Unprecedented Azobenzene-Based Organic Single-Component Ferroelectric Chemical Science, 2022 |
| 1566750 | CIF | C12 H6 F5 N3 | P 1 21 1 | 3.76719; 6.2632; 24.1516 90; 92.008; 90 | 569.5 | Peng, Hang; Qi, Jun-Chao; Song, Xian-Jiang; Xiong, Ren-Gen; Liao, Wei-Qiang An Unprecedented Azobenzene-Based Organic Single-Component Ferroelectric Chemical Science, 2022 |
| 1566751 | CIF | C123 H116 F21 N12 O21 Rh4 S7 | P 1 21/c 1 | 24.6083; 12.7106; 23.5913 90; 114.206; 90 | 6730.2 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566752 | CIF | C211.76 H184 F35.28 Ir8 N8 O51.28 S11.76 | P 1 21/c 1 | 21.3182; 15.4343; 19.1459 90; 99.14; 90 | 6219.6 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566753 | CIF | C113.5 H132 F12 N4 O24.5 Rh4 S4 | P 1 21 1 | 15.5383; 19.2201; 41.5739 90; 94.273; 90 | 12381.4 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566754 | CIF | C134 H116 F30 N4 O38 Rh4 S10 | P n a 21 | 29.3957; 27.2297; 40.625 90; 90; 90 | 32518 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566755 | CIF | C366 H318 F54 N24 O94 Rh14 S18 | P 1 21/c 1 | 20.474; 34.09; 38.801 90; 105.086; 90 | 26148 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566756 | CIF | C122 H100 F18 N4 O26 Rh4 S6 | P 1 21/n 1 | 23.67; 36.843; 25.731 90; 112.251; 90 | 20768 | Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies Chemical Science, 2022 |
| 1566757 | CIF HKL | Al0.067 Fe0.067 Mg1.94 O6 Si1.93 | P b c a | 5.1815; 18.2321; 8.8085 90; 90; 90 | 832.14 | Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P. Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII Journal of Synchrotron Radiation, 2022, 29, 654-663 |
| 1566758 | CIF | Fe0.091 Mg0.909 O3 Si | P b n m | 4.194; 4.525; 6.191 90; 90; 90 | 117.49 | Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P. Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII Journal of Synchrotron Radiation, 2022, 29, 654-663 |
| 1566759 | CIF | Co Sb3 | I m -3 | 9.036; 9.036; 9.036 90; 90; 90 | 737.783 | Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P. Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII Journal of Synchrotron Radiation, 2022, 29, 654-663 |
| 1566760 | CIF | C151 H250 Al4 K4 N8 O4 S4 Si8 | P 1 21/c 1 | 25.01159; 19.41543; 33.7313 90; 100.884; 90 | 16085.6 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566761 | CIF | C82 H140 Al2 K2 N4 O12 Se2 Si4 | P 1 21/n 1 | 15.4374; 13.47603; 22.5971 90; 93.2318; 90 | 4693.51 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566762 | CIF | C49 H66 Al K N2 O3 S Si2 | P 1 21/n 1 | 14.78551; 13.04163; 25.96015 90; 104.132; 90 | 4854.33 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566763 | CIF | C53 H80 Al K N2 O5 Se Si2 | P 1 21/n 1 | 9.75833; 31.8983; 17.54162 90; 92.6949; 90 | 5454.21 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566764 | CIF | C50 H90 Al K N4 O8 S Si2 | P -1 | 10.0626; 17.1004; 17.2361 88.851; 83.037; 84.293 | 2929.33 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566765 | CIF | C45 H66 Al K N2 O3 S Si2 | P 1 21/c 1 | 15.45971; 12.3875; 24.7548 90; 90.4615; 90 | 4740.57 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566766 | CIF | C74 H132 Al2 K2 N4 O10 S2 Si4 | P 1 21 1 | 12.27766; 24.87997; 14.9006 90; 94.3187; 90 | 4538.73 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566767 | CIF | C49 H66 Al K N2 O3 Se Si2 | P 1 21/n 1 | 14.84213; 13.02613; 26.0062 90; 103.725; 90 | 4884.35 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P. Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds Chemical Science, 2022 |
| 1566768 | CIF HKL Paper | C36 H48 N4 O14 | P -1 | 6.0921; 8.5778; 18.726 94.922; 90.428; 98.945 | 962.88 | Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Bis(oxotremorine) fumarate bis(fumaric acid) IUCrData, 2022, 7, x220364 |
| 1566769 | CIF | C48 H28 Bi N4 O9 | P 21 21 21 | 17.3; 17.4; 18.975 90; 90; 90 | 5711.9 | Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides Catalysis Science & Technology, 2022, 12, 3254-3260 |
| 1566770 | CIF | C54 H78 Cl2 N10 O4 | C 1 2 1 | 20.799; 14.2717; 20.0159 90; 114.881; 90 | 5390 | Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas Chemical Science, 2022 |
| 1566771 | CIF | C99 H134 N20 O15.5 P | P 1 | 13.8456; 13.8504; 26.594 98.63; 90.112; 101.91 | 4930.7 | Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas Chemical Science, 2022 |
| 1566772 | CIF | C67 H96 N15 O13 P | P 1 21 1 | 13.007; 20.8259; 13.9625 90; 106.566; 90 | 3625.2 | Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas Chemical Science, 2022 |
| 1566773 | CIF | C77 H44 Cl2 N12 O5 | P 1 21 1 | 11.9428; 25.5121; 12.5127 90; 92.975; 90 | 3807.3 | Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas Chemical Science, 2022 |
| 1566774 | CIF | C29 H18 N | P -1 | 8.4867; 12.972; 18.128 105.478; 90.206; 96.312 | 1910.5 | Wei, Xiao; Xu, Chao; Li, Hao; Kang, Xi; Zhu, Manzhou Fabrication of a Family of Atomically Precise Silver Nanoclusters via Dual-Level Kinetical Control Chemical Science, 2022 |
| 1566775 | CIF | C30 H38 B2 N2 O4 | P 1 21/n 1 | 15.0763; 9.9694; 19.4363 90; 103.775; 90 | 2837.29 | Li, Manhong; Liu, Siqi; Bao, Haoshi; Li, Qini; Deng, Yi-Hui; Sun, Tian-Yu; Wang, Leifeng Photoinduced metal-free borylation of aryl halides catalysed by an in situ formed donor–acceptor complex Chemical Science, 2022 |
| 1566776 | CIF | C56 H71.75 Li5 Ni2 O5 | P 1 21/c 1 | 16.24036; 14.66026; 22.76116 90; 101.713; 90 | 5306.3 | Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022 |
| 1566777 | CIF | C64 H112 Br2 Li6 Ni2 O8 | P 1 21/c 1 | 18.677; 19.8681; 39.575 90; 91.001; 90 | 14683.1 | Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022 |
| 1566778 | CIF | C58 H73 Li6 Ni2 O4 | P -1 | 13.176; 14.1453; 15.9321 101.573; 103.502; 101.439 | 2733.3 | Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022 |
| 1566779 | CIF | C88 H124 Li12 N4 Ni4 O12 | P 1 21/c 1 | 19.0297; 12.2915; 21.1653 90; 110.588; 90 | 4634.5 | Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022 |
| 1566780 | CIF | C64 H92 Na4 Ni2 O6 | P -1 | 11.6655; 12.7905; 22.787 104.121; 90.47; 109.712 | 3088.75 | Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand Chemical Science, 2022 |
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