Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544255 | CIF HKL Paper | C17 H13 N O2 | P 1 21/n 1 | 11.5383; 7.9873; 28.3149 90; 90.525; 90 | 2609.4 | Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Al-badrany, Khalid A.; Ahmed, Ehab A. Methyl 2-phenylquinoline-4-carboxylate IUCrData, 2016, 1, x161500 |
| 1544256 | CIF HKL Paper | C10 H15 N O3 | P 21 21 21 | 6.1146; 28.3272; 5.9614 90; 90; 90 | 1032.6 | Fujii, Isao (<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate IUCrData, 2016, 1, x161516 |
| 1544257 | CIF | C37 H59 Na O6 Si4 | C 1 2/c 1 | 23.272; 9.7485; 37.173 90; 94.149; 90 | 8411 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544258 | CIF | C16 H39 Li O6 Si3 | C 1 c 1 | 9.531; 17.403; 15.039 90; 90.873; 90 | 2494 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544259 | CIF | C15 H39 Ge Na O6 Si3 | P 1 21/c 1 | 15.729; 9.9209; 17.212 90; 90.3515; 90 | 2685.8 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544260 | CIF | C15 H39 Ge K O6 Si3 | P 1 21/n 1 | 8.141; 19.245; 16.727 90; 90.528; 90 | 2620.6 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544261 | CIF | C16 H39 K O6 Si3 | P 1 21/n 1 | 8.698; 18.417; 16.289 90; 90.2; 90 | 2609 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544262 | CIF | C13 H10 N2 O2 | P 21 21 21 | 5.2167; 10.4562; 18.815 90; 90; 90 | 1026.3 | Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian Rh(iii)-catalyzed double C–H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis Chem. Sci., 2017, 8, 1303 |
| 1544263 | CIF | Al20 Er V2 | F d -3 m :2 | 14.5175; 14.5175; 14.5175 90; 90; 90 | 3059.68 | Winiarski, M.J.; Klimczuk, T. Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound Journal of Solid State Chemistry, 2017, 245, 10-16 |
| 1544264 | CIF | C21 H23 N O5 | P -1 | 9.996; 10.556; 11.033 69.226; 73.09; 65.04 | 973 | Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines. Organic letters, 2016, 18, 5212 |
| 1544265 | CIF | C20 H21 N O4 | P 1 21/n 1 | 9.7358; 9.6518; 19.991 90; 98.694; 90 | 1856.93 | Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines. Organic letters, 2016, 18, 5212 |
| 1544266 | CIF | C20 H26 Cl2 Co N4 | C 2 2 21 | 11.8914; 12.9438; 15.3741 90; 90; 90 | 2366.4 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
| 1544267 | CIF | C17 H24 Cl2 Co N4 | P b c n | 14.2357; 8.2893; 15.2974 90; 90; 90 | 1805.2 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
| 1544268 | CIF | C28 H31 Cl2 Co N5 | P 1 21 1 | 11.1898; 8.5968; 14.2382 90; 103.253; 90 | 1333.2 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
| 1544269 | CIF | C12 H34 Cl2 Co N4 O2 | P -1 | 9.0263; 9.19; 13.2981 83.343; 81.332; 61.722 | 959.1 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
| 1544270 | CIF | C22 H32 Cl2 Co N4 O | C 2 2 21 | 11.2962; 13.9276; 14.5394 90; 90; 90 | 2287.5 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
| 1544271 | CIF HKL | C40 H30 Co N2 O4 | P 1 21/c 1 | 11.3689; 16.701; 17.007 90; 92.09; 90 | 3227 | Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O Polyhedron, 2013, 52, 1306-1316 |
| 1544272 | CIF HKL | C11 H20 Co N11 O3 S | P -1 | 7.3164; 11.4668; 11.9873 110.369; 100.918; 97.158 | 905.69 | Rajni Sharma; Raj Pal Sharma; Konstantin Karaghiosoff; Thomas M. Klapoetke; Miguel Quirós; Juan M. Salas Cationic Cobaltammines as Anion Receptors: Synthesis, Spectroscopic and X-ray Structural Study of Biologically Important Saccharinate Salt, [cis-Co(en)~2~(N~3~)~2~](C~7~H~4~NSO~3~) Journal of Molecular Structure, 2009, 930, 88-94 |
| 1544273 | CIF HKL Paper | C28 H80 Co Cr2 N12 O14 S18 | P -1 | 11.752; 12.212; 13.257 85.95; 87.98; 70.17 | 1785.2 | Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V. Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate IUCrData, 2016, 1, x161571 |
| 1544274 | CIF HKL Paper | C18 H16 Cl F2 N O | P n a 21 | 6.2844; 11.7141; 21.6006 90; 90; 90 | 1590.15 | Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P. 3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one IUCrData, 2016, 1, x161580 |
| 1544275 | CIF HKL | C32 H35 N3 O5 | P -1 | 9.938; 10.085; 14.23 80.194; 86.588; 81.534 | 1389.2 | Zhang, Xin; Wu, Zhi-Chao (<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile IUCrData, 2016, 1, x161598 |
| 1544276 | CIF HKL Paper | C38 H28 Cl2 Cu N8 O4 | P n n a | 7.53614; 30.5246; 15.4918 90; 90; 90 | 3563.7 | Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate IUCrData, 2016, 1, x161562 |
| 1544277 | CIF | C17 H31 I O P2 | P 1 21/c 1 | 10.0682; 13.5159; 14.7514 90; 92.352; 90 | 2005.69 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1544278 | CIF | C14 H26 P2 | P 1 21/n 1 | 8.4848; 12.9532; 14.0671 90; 105.04; 90 | 1493.09 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1544279 | CIF | C14 H22 Cl6 I2 P2 | C 1 2/c 1 | 23.5655; 10.2998; 20.9628 90; 98.051; 90 | 5037.9 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1544280 | CIF | C27 H46 Ni O2 P2 | P 21 21 21 | 9.6408; 12.6202; 22.256 90; 90; 90 | 2707.9 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1544281 | CIF HKL | C4 H6 N2 Na O3.5 S | P 1 21/c 1 | 10.4177; 10.9492; 13.6822 90; 110.206; 90 | 1464.6 | N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry, 2016, 69, 3219-3230 |
| 1544282 | CIF HKL | C4 H7 N2 Na O4 S | P 21 21 21 | 6.7075; 11.0451; 20.4865 90; 90; 90 | 1517.7 | N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties Journal of Coordination Chemistry, 2016, 69, 3219-3230 |
| 1544283 | CIF | C31 H23.5 Cl2 F6 N5.5 O P Ru | P -1 | 7.2084; 11.366; 20.0517 74.296; 80.187; 87.543 | 1558.4 | Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 1484-1491 |
| 1544284 | CIF | C30 H22 Cl2 N5 O3.5 Ru | P -1 | 10.8118; 11.8295; 12.3991 103.956; 108.342; 101.033 | 1398 | Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 1484-1491 |
| 1544285 | CIF | C14 H10 N4 | P 1 21/n 1 | 9.3816; 6.7781; 16.9307 90; 99.5145; 90 | 1061.8 | Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases. Chemical science, 2017, 8, 1337-1343 |
| 1544286 | CIF | C23 H21 N O | P -1 | 10.2062; 13.2507; 13.9258 91.429; 104.805; 98.033 | 1799.3 | Roy, Tony; Thangaraj, Manikandan; Kaicharla, Trinadh; Kamath, Rupa V.; Gonnade, Rajesh G.; Biju, Akkattu T. The Aryne [2,3] Stevens Rearrangement. Organic letters, 2016, 18, 5428 |
| 1544287 | CIF | C50 H86 P3 Rh | P 1 21/c 1 | 10.4706; 22.65; 19.939 90; 98.7248; 90 | 4674 | Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide Chem. Sci., 2017, 8, 1454 |
| 1544288 | CIF HKL Paper | C30 H34 N2 O6 | P -1 | 9.6854; 10.9169; 13.145 79.029; 75.615; 85.345 | 1320.86 | Mani, A.; Rajesh, K.; Kumar, P. Praveen; Chakkaravarthi, G. 2,5-Dimethylanilinium 4-hydroxybenzoate–2,5-dimethylaniline–4-hydroxybenzoic acid (1/1/1) IUCrData, 2016, 1, x161607 |
| 1544289 | CIF HKL Paper | C16 H14 N8 O2 | P -1 | 9.1166; 10.022; 10.781 116.951; 97.13; 102.195 | 830.5 | Wang, Zhaodong; Yang, Yanshuang; Lin, Huanzhu <i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide IUCrData, 2016, 1, x161588 |
| 1544290 | CIF HKL Paper | C17 H19 N3 O4 | P 1 21/c 1 | 10.5321; 18.794; 9.0491 90; 113.903; 90 | 1637.6 | Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate IUCrData, 2016, 1, x161619 |
| 1544291 | CIF HKL Paper | C6 H14 N2 O6 P2 | C 1 2/c 1 | 13.6564; 12.3755; 7.7281 90; 117.586; 90 | 1157.61 | Zahid, Md.; Akilan, R.; Ganesh, T.; Kumar, R. Mohan; Chakkaravarthi, G. Benzene-1,2-diaminium bis(hydrogen phosphonate) IUCrData, 2016, 1, x161591 |
| 1544292 | CIF HKL Paper | C28 H23 N9 O4 | I 1 2/a 1 | 12.35; 4.8107; 42.812 90; 97.569; 90 | 2521.4 | Janzen, Daron E.; Lange, Kayla A.; Wollack, James W. Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate] IUCrData, 2016, 1, x161570 |
| 1544293 | CIF HKL | C10 H11 Cl N2 O4 | P 1 2/c 1 | 12.5178; 7.8321; 12.6354 90; 107.763; 90 | 1179.7 | Posel, Maciej; Stoeckli-Evans, Helen 2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate IUCrData, 2016, 1, x161543 |
| 1544294 | CIF HKL Paper | C30 H55 N5 O | P -1 | 8.8895; 8.9652; 19.6555 95.093; 95.922; 98.563 | 1532.1 | El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one IUCrData, 2016, 1, x161587 |
| 1544295 | CIF HKL Paper | C13 H10 N2 O3 | P 1 21/n 1 | 8.0774; 6.5801; 21.668 90; 98.24; 90 | 1139.8 | Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.; Panneer Selvam, K. (<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol IUCrData, 2016, 1, x161595 |
| 1544296 | CIF | C20 H17 N2 O5 V | P 1 21/c 1 | 18.249; 5.9376; 18.227 90; 110.346; 90 | 1851.8 | Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18292-18307 |
| 1544297 | CIF | C50 H42 N6 O10 V2 | P 4/n | 21.5608; 21.5608; 10.1344 90; 90; 90 | 4711.16 | Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18292-18307 |
| 1544298 | CIF | C38 H26 N2 S | I 1 2/a 1 | 17.9549; 5.7818; 55.027 90; 91.498; 90 | 5710.5 | Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh Multi-Stimuli Responsive Donor–Acceptor Tetraphenylethylene Substituted Benzothiadiazoles The Journal of Physical Chemistry C, 2016, 120, 24030 |
| 1544299 | CIF | C39 H28 N2 S | P -1 | 5.9323; 9.0092; 28.6842 91.068; 90.99; 101.891 | 1499.53 | Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh Multi-Stimuli Responsive Donor–Acceptor Tetraphenylethylene Substituted Benzothiadiazoles The Journal of Physical Chemistry C, 2016, 120, 24030 |
| 1544300 | CIF | C12 H8 N2 | F d d d :2 | 9.2584; 12.936; 15.764 90; 90; 90 | 1888 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544301 | CIF | C26 H18 N2 | P 1 21/c 1 | 22.1029; 5.6277; 7.5548 90; 99.707; 90 | 926.28 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544302 | CIF | C20 H12 N2 | P n a 21 | 17.7436; 10.851; 7.5217 90; 90; 90 | 1448.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544303 | CIF | C20 H16 N2 O2 | P 1 21/c 1 | 14.957; 4.8702; 11.199 90; 103.719; 90 | 792.5 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544304 | CIF | C18 H22 N4 O4 | P -1 | 7.7923; 7.9651; 8.4455 102.627; 95.961; 114.174 | 455.51 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544305 | CIF | C20 H20 N2 O0 | P n a 21 | 21.105; 6.5848; 11.241 90; 90; 90 | 1562.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544306 | CIF | C16 H16 N2 O2 | P 1 21/c 1 | 7.4431; 3.9111; 22.7679 90; 99.239; 90 | 654.19 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544307 | CIF | C12 H12 N9 O2.75 | C 1 2/c 1 | 38.9915; 6.9971; 29.1584 90; 130.424; 90 | 6056 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544308 | CIF HKL Paper | C11 H17 N3 O5 S | P b c a | 7.1432; 13.35; 29.4794 90; 90; 90 | 2811.21 | Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. Creatinium 4-methylbenzenesulfonate IUCrData, 2016, 1, x161622 |
| 1544309 | CIF HKL Paper | C23 H17 N3 O | P 1 c 1 | 7.6704; 13.2898; 9.0627 90; 107.22; 90 | 882.42 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A. (<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide IUCrData, 2016, 1, x161544 |
| 1544310 | CIF HKL | C28 H33 Cl N4 | P 1 21/c 1 | 11.791; 15.005; 14.711 90; 92.716; 90 | 2599.8 | Hu, Lei; Wang, Hui; Zhang, Qiong 4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline) IUCrData, 2016, 1, x161590 |
| 1544311 | CIF Paper | C14 H14 O3 | P -1 | 6.0504; 10.2188; 10.8744 106.062; 102.923; 103.358 | 598.14 | Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M. Ethyl (naphthalen-2-yloxy)acetate IUCrData, 2016, 1, x161594 |
| 1544312 | CIF HKL Paper | C16 H9 N3 O3 | P 1 21/c 1 | 6.7439; 10.8441; 17.7415 90; 100.732; 90 | 1274.77 | Koh, Dongsoo 3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one IUCrData, 2016, 1, x161625 |
| 1544313 | CIF HKL Paper | C18 H30 N10 O3 Zn2 | P 61 | 9.2437; 9.2437; 47.683 90; 90; 120 | 3528.5 | Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)] IUCrData, 2016, 1, x161626 |
| 1544314 | CIF | C26 H23 O P S2 | P -1 | 8.4616; 11.5086; 12.4957 83.427; 77.321; 83.71 | 1174.89 | Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle Chem. Sci., 2017, 8, 1309 |
| 1544315 | CIF | C20 H19 Fe N O | P 21 21 21 | 5.7992; 11.4342; 24.017 90; 90; 90 | 1592.5 | Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science, 2017, 8, 1344-1349 |
| 1544316 | CIF | C22 H21 Fe N O3 | P 32 | 9.7138; 9.7138; 33.882 90; 90; 120 | 2768.7 | Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science, 2017, 8, 1344-1349 |
| 1544317 | CIF | C22 H29 I N2 O5 | P 21 21 21 | 8.4155; 10.1342; 25.9099 90; 90; 90 | 2209.7 | Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. Journal of natural products, 2016, 79, 2709-2717 |
| 1544318 | CIF | C20 H23 I N2 O2 | P 21 21 21 | 7.6879; 13.0251; 18.905 90; 90; 90 | 1893.1 | Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. Journal of natural products, 2016, 79, 2709-2717 |
| 1544319 | CIF | C40 H76 N10 O20 S4 | P 1 21/n 1 | 7.7136; 12.8367; 26.8813 90; 92.503; 90 | 2659.2 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
| 1544320 | CIF | C30 H54 N10 O17 S4 | P b c a | 18.5465; 16.3492; 28.7869 90; 90; 90 | 8728.8 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
| 1544321 | CIF | C28 H53 N2 Na2 O25.5 S4 | P -1 | 9.572; 19.0529; 22.861 89.387; 85.105; 89.819 | 4153.81 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
| 1544322 | CIF | C60 H102 N4 O20 S4 | P -1 | 12.658; 14.765; 19.6938 102.257; 99.362; 103.809 | 3403.4 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
| 1544323 | CIF | C30 H48 N10 O16 S4 | P -1 | 7.6006; 10.2393; 12.7741 96.042; 101.703; 91.37 | 967.02 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
| 1544324 | CIF | C29 H34 Co N4 O2 P | P -1 | 9.0606; 9.2632; 18.0169 95.238; 99.314; 114.659 | 1334.71 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
| 1544325 | CIF | C24 H32 Co N4 O2 P | P b c a | 15.072; 17.0259; 18.8998 90; 90; 90 | 4849.96 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
| 1544326 | CIF | C99.54 H82 Cl5.08 F24 N4 Os P10 Pd | P 1 n 1 | 17.6742; 13.931; 24.3295 90; 107.34; 90 | 5718.15 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
| 1544327 | CIF HKL | La1.33 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.37783; 5.37783; 11.75716 90; 90; 90 | 340.029 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1544328 | CIF HKL | Ho0.27 La1.07 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.360174; 5.360174; 11.71105 90; 90; 90 | 336.476 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1544329 | CIF HKL | Ho0.13 La0.93 Na1.33 O16 Sr1.33 W4 Yb0.27 | I 41/a :2 | 5.34372; 5.34372; 11.67359 90; 90; 90 | 333.343 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1544330 | CIF HKL | Ho0.07 La0.67 Na1.33 O16 Sr1.33 W4 Yb0.6 | I 41/a :2 | 5.3257; 5.3257; 11.62354 90; 90; 90 | 329.679 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1544331 | CIF | O4 Si Zn2 | P n m a | 10.2897; 6.6711; 5.0691 90; 90; 90 | 347.96 | Liu, X.; Kanzaki, M.; Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K Physics and Chemistry of Minerals, 2013, 40, 467-478 |
| 1544332 | CIF | O4 Si Zn2 | P b c a | 10.9179; 9.6728; 6.1184 90; 90; 90 | 646.14 | Liu, X.; Kanzaki, M.; Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K Physics and Chemistry of Minerals, 2013, 40, 467-478 |
| 1544333 | CIF | Ba Ca2 Mg O8 Si2 | P -3 | 5.42708; 5.42708; 6.79455 90; 90; 120 | 173.31 | Park, C.-H.; Kim, T.-H.; Yonesaki, Y.; Kumada, N. A re-investigation of the crystal structure and luminescence of BaCa2MgSi2O8:Eu2+ Journal of Solid State Chemistry, 2011, 184, 1566-1570 |
| 1544334 | CIF | O4 Ti Zn2 | P 43 2 2 | 5.9927; 5.9927; 8.4266 90; 90; 90 | 302.62 | Marin, S.J.; O'Keeffe, M.; Partin, D.E. Structures and crystal chemistry of ordered spinels: LiFe5O8, LiZnNbO4, and Zn2TiO4 Journal of Solid State Chemistry, 1994, 113, 413-419 |
| 1544335 | CIF | Fe5 Li O8 | P 43 3 2 | 8.3195; 8.3195; 8.3195 90; 90; 90 | 575.827 | Marin, S.J.; O'Keeffe, M.; Partin, D.E. Structures and crystal chemistry of ordered spinels: LiFe5O8, LiZnNbO4, and Zn2TiO4 Journal of Solid State Chemistry, 1994, 113, 413-419 |
| 1544336 | CIF | Li Nb O4 Zn | P 43 2 2 | 6.0804; 6.0804; 8.3988 90; 90; 90 | 310.514 | Marin, S.J.; O'Keeffe, M.; Partin, D.E. Structures and crystal chemistry of ordered spinels: LiFe5O8, LiZnNbO4, and Zn2TiO4 Journal of Solid State Chemistry, 1994, 113, 413-419 |
| 1544337 | CIF | C26 H36 B F2 N3 O | P -1 | 7.5729; 10.5422; 16.273 91.813; 99.198; 102.19 | 1250.7 | Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin. Organic letters, 2016, 18, 5696-5699 |
| 1544338 | CIF | C11 H9 B Br2 F2 N2 O2 | P 1 21/n 1 | 7.1123; 13.579; 13.939 90; 100.474; 90 | 1323.8 | Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin. Organic letters, 2016, 18, 5696-5699 |
| 1544339 | CIF HKL | C7 H15 F6 N3 O4 S2 | P 1 21/c 1 | 8.5071; 20.9755; 8.9099 90; 90.173; 90 | 1589.88 | Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig [(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide IUCrData, 2016, 1, x161658 |
| 1544340 | CIF HKL Paper | C15 H15 N3 O3 | P -1 | 6.0265; 11.062; 11.848 108.812; 103.95; 100.848 | 694.5 | El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M. 4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one IUCrData, 2016, 1, x161644 |
| 1544341 | CIF HKL Paper | C28 H36 Co2 N8 O12 | P 1 21/n 1 | 10.6382; 7.6075; 19.8693 90; 93.219; 90 | 1605.49 | Ding, Xulong; Li, Li Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate IUCrData, 2016, 1, x161640 |
| 1544342 | CIF | C38 H26 F10 O6 | P 1 21/n 1 | 8.1826; 25.666; 31.715 90; 95.407; 90 | 6631 | Grigalunas, Michael; Wiest, Olaf; Helquist, Paul Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy. Organic letters, 2016, 18, 5724-5727 |
| 1544343 | CIF | C28 H26.5 Cl2 O9.25 | P 1 21/c 1 | 27.9493; 14.6228; 26.5088 90; 105.098; 90 | 10460.1 | Grigalunas, Michael; Wiest, Olaf; Helquist, Paul Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy. Organic letters, 2016, 18, 5724-5727 |
| 1544344 | CIF | Cr O4 P | I m m a | 10.40583; 12.89952; 6.29933 90; 90; 90 | 845.56 | Attfield, J.P.; Sleight, A.W.; Cheetham, A.K. Structure determination of alpha-CrPO4 from powder synchrotron X-ray data Nature, 1986, 322, 620-622 |
| 1544345 | CIF | Li2 O4 S | C m c m | 5.3452; 7.9323; 6.0292 90; 90; 90 | 255.636 | Parfitt, D.C.; Keen, D.A.; Hull, S.; Crichton, W.A.; Mezouar, M.; Wilson, M.; Madden, P.A. High-pressure forms of lithium sulphate: structural determination and computer simulation Sample: P = 5.2 GPa and T = 723 K Physical Review B, 2005, 72, 054121-054127 |
| 1544346 | CIF | O3 Rh2 | P b n a | 5.1686; 5.3814; 7.2426 90; 90; 90 | 201.45 | Shannon, R.D.; Prewitt, C.T. Synthesis and structure of a new high-pressure form of Rh2O3 Journal of Solid State Chemistry, 1970, 2, 134-136 |
| 1544347 | CIF | O5 P2 | F d d 2 | 16.314; 8.115; 5.265 90; 90; 90 | 697 | Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J. New refinement of the crystal structure of o-P2O5 Journal of Solid State Chemistry, 1996, 127, 350-353 |
| 1544348 | CIF | C11 H17 N O Si | P 1 c 1 | 10.178; 10.104; 12.72 90; 108.216; 90 | 1242.5 | Liu, Pei; Tang, Jinghua; Zeng, Xiaoming Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides. Organic letters, 2016, 18, 5536-5539 |
| 1544349 | CIF | O2 Ti | P b n m | 4.9022; 9.459; 2.9585 90; 90; 90 | 137.19 | Akimoto, J.; Gotoh, Y.; Oosawa, Y.; Nonose, N.; Kumagai, T.; Aoki, K.; Takei, H. Topotactic oxidation of ramsdellite-type Li0.5TiO2, a new polymorph of titanium dioxide: TiO2(R) Journal of Solid State Chemistry, 1994, 113, 27-36 |
| 1544350 | CIF | Li0.14 O2 Ti | P b n m | 4.9732; 9.5425; 2.9586 90; 90; 90 | 140.41 | Akimoto, J.; Gotoh, Y.; Oosawa, Y.; Nonose, N.; Kumagai, T.; Aoki, K.; Takei, H. Topotactic oxidation of ramsdellite-type Li0.5TiO2, a new polymorph of titanium dioxide: TiO2(R) Journal of Solid State Chemistry, 1994, 113, 27-36 |
| 1544351 | CIF | Li0.16 O2 Ti | P b n m | 4.979; 9.5613; 2.9551 90; 90; 90 | 140.68 | Akimoto, J.; Gotoh, Y.; Oosawa, Y.; Nonose, N.; Kumagai, T.; Aoki, K.; Takei, H. Topotactic oxidation of ramsdellite-type Li0.5TiO2, a new polymorph of titanium dioxide: TiO2(R) Journal of Solid State Chemistry, 1994, 113, 27-36 |
| 1544352 | CIF | Li0.41 O2 Ti | P b n m | 5.0311; 9.6113; 2.9488 90; 90; 90 | 142.59 | Akimoto, J.; Gotoh, Y.; Oosawa, Y.; Nonose, N.; Kumagai, T.; Aoki, K.; Takei, H. Topotactic oxidation of ramsdellite-type Li0.5TiO2, a new polymorph of titanium dioxide: TiO2(R) Journal of Solid State Chemistry, 1994, 113, 27-36 |
| 1544353 | CIF | Li0.45 O2 Ti | P b n m | 5.0356; 9.6377; 2.9484 90; 90; 90 | 143.09 | Akimoto, J.; Gotoh, Y.; Sohma, M.; Kawaguchi, K.; Oosawa, Y.; Takei, H. Synthesis and crystal structure of ramsdellite-type Li0.5TiO2 Journal of Solid State Chemistry, 1994, 110, 150-155 |
| 1544354 | CIF HKL | C10 H7 N3 O4 | P 1 21/c 1 | 11.701; 10.947; 7.4253 90; 107.68; 90 | 906.2 | Zhang, Kanglong; Qi, Xiaojin; Yuan, Bingnian Zwitterionic 4-carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate IUCrData, 2016, 1, x161641 |
| 1544355 | CIF HKL | C7 H4 S3 | C 1 2/c 1 | 13.1921; 7.5999; 15.2507 90; 105.223; 90 | 1475.36 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery 3<i>H</i>-1,2-Benzodithiole-3-thione IUCrData, 2016, 1, x161688 |
| 1544356 | CIF | C33 H46 Br N O5 Si | P 21 21 21 | 9.091; 18.1061; 20.6924 90; 90; 90 | 3406 | Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel Stereodivergent, Diels–Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application Chem. Sci., 2017, 8, 1511 |
| 1544357 | CIF | C18 H21 Br N2 O3 | P 1 21 1 | 8.8396; 17.5572; 11.6494 90; 94.347; 90 | 1802.77 | Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain Highly enantioselective metallation–substitution alpha to a chiral nitrile Chem. Sci., 2017, 8, 1436 |
| 1544358 | CIF | Fe3 La O8 Sr2 | P m m a | 5.5095; 11.8845; 5.6028 90; 90; 90 | 366.858 | Battle, P.D.; Gibb, T.C.; Lightfoot, P. The crystal and magnetic structures of Sr2LaFe3O8 Journal of Solid State Chemistry, 1990, 84, 237-244 |
| 1544359 | CIF | In O6 Sr2 Ta | P 1 21/n 1 | 5.7336; 5.7405; 8.10905 90; 90.022; 90 | 266.899 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal structure and phase transitions in Sr2InTaO6 sample: 25 C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544360 | CIF | In O6 Sr2 Ta | I 1 2/m 1 | 5.7764; 5.776; 8.1566 90; 90.09; 90 | 272.14 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544361 | CIF | In O6 Sr2 Ta | I 4/m | 5.7783; 5.7783; 8.1929 90; 90; 90 | 273.55 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544362 | CIF | In O6 Sr2 Ta | F m -3 m | 8.2116; 8.2116; 8.2116 90; 90; 90 | 553.71 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal structure and phase transitions in Sr2InTaO6 sample: 1100 ?C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544363 | CIF | O7 P2 Si | P 1 21/c 1 | 4.3042; 7.1505; 6.2987 90; 103.805; 90 | 188.26 | Leinenweber, K.; Stearns, L.A.; Nite, J.M.; Nemeth, P.; Groy, T.L. Structure of a new form of silicon phosphate (SiP2O7) synthesized at high pressures and temperatures Journal of Solid State Chemistry, 2012, 225, 190-221 |
| 1544364 | CIF | O7 P2 Si | P 63 | 4.7158; 4.7158; 11.917 90; 90; 120 | 229.51 | Poojary, D.M.; Borade, R.B.; Campbell, III, F.L.; Clearfield, A. Crystal structure of silicon pyrophosphate (form I) from powder diffraction data Journal of Solid State Chemistry, 1994, 112, 106-112 |
| 1544365 | CIF | C13 H10 O S | P 1 21/c 1 | 13.6637; 5.6795; 13.4061 90; 96.068; 90 | 1034.52 | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange. Organic letters, 2016, 18, 5756-5759 |
| 1544366 | CIF | C26 H19 I | P b c a | 16.0575; 11.4137; 21.6746 90; 90; 90 | 3972.4 | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange. Organic letters, 2016, 18, 5756-5759 |
| 1544367 | CIF | C19 H20.24 Cl2 Co N4 O0.12 | P 32 2 1 | 9.044; 9.044; 40.737 90; 90; 120 | 2885.6 | Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites Catal. Sci. Technol., 2016, 6, 8482 |
| 1544368 | CIF | C18 H17 Br Cl2 Co N4 | P 1 21/n 1 | 14.188; 6.883; 21.321 90; 107.131; 90 | 1989.7 | Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites Catal. Sci. Technol., 2016, 6, 8482 |
| 1544369 | CIF | C60 H72 Br2 F48 I6 K2 N4 O12 | P -3 | 11.727; 11.727; 20.29 90; 90; 120 | 2416.5 | Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems Chem. Sci., 2017, 8, 1801 |
| 1544370 | CIF | Al Na O8 Si3 | P m n n | 8.24; 8.68; 4.84 90; 90; 90 | 346.172 | Hwang, S.-L.; Shen, P.; Chu, H.-T.; Yui, T.-F.; Liou, J.G.; Sobolev, N.V. Kumdykolite, an orthorhombic polymorph of albite, from the Kokchetav ultrahigh-pressure massif, Kazakhstan Note: Na positon from Nemeth et al., Am. Mineral., 98, 1070-1073, 2013 Europian Journal of Mineralogy, 2009, 21, 1325-1334 |
| 1544371 | CIF | H2.48 Mg1.24 O6 Si1.76 | P -3 1 m | 4.79; 4.79; 4.344 90; 90; 120 | 86.32 | Kudoh, Y.; Nagase, T.; Mizohata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Structure and crystal chemistry of phase G, a new hydrous magnesium silicate synthesized at 22 GPa and 1050 C Geophysical Research Letters, 1997, 24, 1051-1054 |
| 1544372 | CIF | F0.16 Fe0.06 H1.86 Mg8.82 Mn0.01 O16.98 Si4 Ti0.05 | P 21/b 1 1 | 4.748; 10.273; 13.6894 100.72; 90; 90 | 656.06 | Ferraris, G.; Prencipe, M.; Sokoliva, E.V.; Gekimyants, V.M.; Spiridonov, E.M. Hydroxylclinohumite, a new member of the humite group: twinning, crystal structure and crystal chemistry of the clinohumite subgroup Z. Kristallogr., 2000, 215, 169-173 |
| 1544373 | CIF | Al2 Mg2 O5 | P b a m | 9.371; 12.1952; 2.7916 90; 90; 90 | 319.03 | Enomoto, A.; Kojitani, H.; Akaogi, M.; Miura, H.; Yusa, H. High-pressure transitions in MgAl2O4 and a new high-pressure phase of Mg2Al2O5 Journal of Solid State Chemistry, 2009, 395, 182-389 |
| 1544374 | CIF | Al D3 O3 | P n a m | 5.14036; 5.06489; 7.25745 90; 90; 90 | 188.95 | Komatsu, K.; Sano, A.; Momma, K.; Ohtani, E.; Kudoh, Y. Crystal structures of high-pressure phases in the alumina-water system: II. powder X-ray diffraction study of a new dense aluminum deuteroxide, delta-Al(OD)3 Z. Kristallogr., 2007, 222, 13-22 |
| 1544375 | CIF | Al H3 O3 | P 1 21/n 1 | 8.675; 5.069; 9.726 90; 94.55; 90 | 426.34 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y.; Kagi, H. Crystal structures of high-pressure phases in the alumina-water system: I. single crystal X-ray diffraction and molecular dynamics simulation of eta-Al(OH)3 Z. Kristallogr., 2007, 222, 1-12 |
| 1544376 | CIF | Al H3 O3 | P 21/b 1 1 | 8.612; 5.013; 9.194 90; 90; 90 | 396.9 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y.; Kagi, H. Crystal structures of high-pressure phases in the alumina-water system: I. single crystal X-ray diffraction and molecular dynamics simulation of eta-Al(OH)3 : sample at 3.0 GPa, RT Z. Kristallogr., 2007, 222, 1-12 |
| 1544377 | CIF | B3 Mg5 O12 Ta | P n m a | 9.3702; 9.4415; 9.3301 90; 90; 90 | 825.42 | Kawano, T.; Yamane, H. Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures Journal of Solid State Chemistry, 2011, 184, 2466-2471 |
| 1544378 | CIF | B3 Mg5 Nb O12 | P n m a | 9.3682; 9.4344; 9.3379 90; 90; 90 | 825.31 | Kawano, T.; Yamane, H. Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures Journal of Solid State Chemistry, 2011, 184, 2466-2471 |
| 1544379 | CIF | Fe O4 V | C m c m | 5.6284; 8.2724; 6.1118 90; 90; 90 | 284.57 | Oka, Y.; Yao, T.; Yamamoto, N.; Ueda, Y.; Kawasaki, S.; Azuma, M.; Takano, M. Hydrothermal synthesis, crystal structure, and magnetic properties of FeVO4-II Journal of Solid State Chemistry, 1996, 123, 54-59 |
| 1544380 | CIF | Ba2.15 Fe4 O13 Pb2.85 Sn | A m m m | 5.799; 4.04293; 26.9561 90; 90; 90 | 631.984 | Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V. Pb2.85Ba2.15Fe4SnO13: a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series sample: T = 550 K Journal of Solid State Chemistry, 2011, 184, 3150-3157 |
| 1544381 | CIF | Al F4 Na | C m c m | 3.6124; 14.9469; 5.2617 90; 90; 90 | 284.1 | Kirik, S.D.; Zaitseva, J.N. NaAlF4: preparation, crystal structure and thermal stability Journal of Solid State Chemistry, 2010, 183, 431-436 |
| 1544382 | CIF | Cr Eu Ge O5 | P b a m | 7.4389; 8.4798; 5.7169 90; 90; 90 | 360.624 | Shpanchenko, R.V.; Tsirlin, A.A.; Kondakova, E.S.; Antipov, E.V.; Bougerol, C.; Hadermann, J.; Tendeloo, van, G.; Sakurai, H.; Takayama-Muromachi, E. New germanates RCrGeO5 (R=Nd-Er,Y): synthesis, structure, and properties Journal of Solid State Chemistry, 2008, 181, 2433-2441 |
| 1544383 | CIF | C32 H31 N3 O2 S | P 1 21/n 1 | 16.708; 10.3275; 17.209 90; 110.656; 90 | 2778.6 | Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation. Organic letters, 2016, 18, 5736-5739 |
| 1544384 | CIF | C18 H17 F3 N2 O2 S | P 1 21/c 1 | 13.134; 9.8729; 29.105 90; 93.355; 90 | 3767.6 | Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation. Organic letters, 2016, 18, 5736-5739 |
| 1544385 | CIF | C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 | C 1 2 1 | 35.1845; 14.8561; 31.0855 90; 101.739; 90 | 15908.7 | Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci., 2017, 8, 1547 |
| 1544386 | CIF | C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 | C 1 2 1 | 35.2593; 14.8434; 31.0697 90; 101.611; 90 | 15928.1 | Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci., 2017, 8, 1547 |
| 1544387 | CIF | Al2 Ba5 Er2 O13 Zr | P 63/m m c | 5.94761; 5.94761; 24.6604 90; 90; 120 | 755.467 | Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Tendeloo, Van, G.; Amelinckx, S. Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO12+x/2 (R = Gd-Lu, Y, Sc) Journal of Solid State Chemistry, 1995, 118, 180-192 |
| 1544388 | CIF | Al O4 W | C 1 2/m 1 | 9.069; 5.705; 4.541 90; 92.29; 90 | 234.8 | Doumerc, J.P.; Vlasse, M.; Pouchard, M.; Hagenmuller, P. Synthese, croissance cristalline, proprietes structurales et physiques d'un nouveau tungstate +V d'aluminium AlWO4 Journal of Solid State Chemistry, 1975, 14, 144-151 |
| 1544389 | CIF | Li4 O8 P2 Zn | P 1 21/a 1 | 8.096; 10.242; 8.106 90; 104.73; 90 | 650.1 | Jensen, T.R.; Hazell, R.G.; Christensen, Norlund, A.; Hanson, J.C. Hydrothermal synthesis of lithium zinc phosphates: structural investigation of twinned alpha-Li4Zn(PO4)2 and a high temperature polymorph beta-Li4Zn(PO4)2 Journal of Solid State Chemistry, 2002, 166, 341-351 |
| 1544390 | CIF | Ba8 O22 V7 | R -3 m | 5.7841; 5.7841; 57.074 90; 90; 120 | 1653.6 | Liu, G.; Greedan, J.E. The synthesis, structure, and characterization of a novel 24-layer oxide: Ba8V7O22 with V(III), V(IV), and V(V) Journal of Solid State Chemistry, 1994, 108, 371-380 |
| 1544391 | CIF | Ba4.5 O13.33 Sc1.33 Sr0.5 Zr1.67 | P 63/m m c | 5.8177; 5.8177; 24.1947 90; 90; 120 | 709.175 | Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Tendeloo, Van, G.; Amelinckx, S. Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO12+x/2 (R = Gd-Lu, Y, Sc) Journal of Solid State Chemistry, 1995, 118, 180-192 |
| 1544392 | CIF | D2.32 Mg2.45 O6 Si1.19 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1544393 | CIF | D2.22 Mg2.28 O6 Si1.31 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1544394 | CIF | C23 H22 O | P -1 | 7.6465; 11.1436; 11.8808 116.215; 94.594; 107.174 | 841.15 | Chen, Xiaoyu; Day, David Philip; Teo, Wan Teng; Chan, Philip Wai Hong Gold- and Brønsted Acid-Catalyzed Cycloisomerization of 1,8-Diynyl Vinyl Acetates to Bicyclo[2.2.1]hept-2-en-7-ones. Organic letters, 2016, 18, 5936 |
| 1544395 | CIF HKL | C10 H13 N3 O2 S | P 1 21/c 1 | 9.4893; 13.5903; 9.0554 90; 94.896; 90 | 1163.5 | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. 1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea IUCrData, 2016, 1, x161599 |
| 1544396 | CIF HKL Paper | C20 H21 N3 O3 S | P 1 21/c 1 | 4.5974; 30.675; 13.809 90; 91.961; 90 | 1946.3 | El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Elhafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T. 5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole IUCrData, 2016, 1, x161695 |
| 1544397 | CIF HKL Paper | C22 H18 F N3 O | P 1 21/c 1 | 24.392; 5.9336; 12.3651 90; 100.828; 90 | 1757.8 | Gilandoust, Maryam; Naveen, S.; Harsha, K. B.; Lokanath, N. K.; Rangappa, K. S. 1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole IUCrData, 2016, 1, x161712 |
| 1544398 | CIF HKL | C24 H23 N3 S | P 1 21 1 | 8.895; 7.648; 15.091 90; 98.566; 90 | 1015.2 | Yao, Shun; Zhang, Xin (<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline IUCrData, 2016, 1, x161621 |
| 1544399 | CIF HKL Paper | C10 H19 N3 | P 1 21/n 1 | 9.8203; 10.6193; 22.5202 90; 98.098; 90 | 2325.09 | Guo, Zhiqiang; Li, Pengxiang; Feng, Pengcheng; Liu, Kai; Wei, Xuehong 2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole IUCrData, 2016, 1, x161617 |
| 1544400 | CIF HKL Paper | C40 H42 N2 O11 | P n a 21 | 14.3387; 25.331; 9.8536 90; 90; 90 | 3579 | Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo 5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate IUCrData, 2016, 1, x161698 |
| 1544401 | CIF HKL Paper | C17 H19 N3 O3 | P n a 21 | 8.9099; 24.55; 7.2359 90; 90; 90 | 1582.8 | El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M. 6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one IUCrData, 2016, 1, x161618 |
| 1544402 | CIF HKL | C19 H14 N3 O0.5 S | C 1 2/c 1 | 34.026; 10.447; 8.967 90; 97.601; 90 | 3159 | Hong, Li; Xin, Zhang (<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate IUCrData, 2016, 1, x161608 |
| 1544403 | CIF HKL Paper | C20 H18 O4 | C 1 2/c 1 | 22.8977; 5.9947; 24.0352 90; 93.297; 90 | 3293.73 | Kambo, Konan René; Sosso, Siaka; Djandé, Abdoulaye; Kakou-Yao, Rita; Tenon, Abodou Jules 2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate IUCrData, 2016, 1, x161633 |
| 1544404 | CIF | C37 H36 Cl F5 N4 O2 U | C 1 c 1 | 24.5647; 8.4279; 16.8859 90; 91.172; 90 | 3495.14 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544405 | CIF | C51 H50 Cl3 F5 N4 O2 Ti2 U | P 1 21/c 1 | 14.486; 30.377; 12.092 90; 107.081; 90 | 5086 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544406 | CIF | C37 H38 Cl Co F5 N4 O2.5 U | P 1 21/c 1 | 16.0945; 28.2241; 19.2594 90; 105.247; 90 | 8440.7 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544407 | CIF | C27 H25 Br N2 O5 S2 | P -1 | 6.9628; 14.115; 14.1917 112.085; 96.677; 97.399 | 1260.9 | Finkler, Björn; Riemann, Iris; Vester, Michael; Grüter, Andreas; Stracke, Frank; Jung, Gregor Monomolecular pyrenol-derivatives as multi-emissive probes for orthogonal reactivities. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 1544-1557 |
| 1544408 | CIF | Cl Cu6 In O8 | F m -3 m | 9.1555; 9.1555; 9.1555 90; 90; 90 | 767.44 | Hayakawa, H.; Akiba, E.; Ono, S.; Ihara, H.; Izumi, F.; Asano, H. Refinement of the crystal strcutures of Cu6O8InCl and Cu6O8Cu2Cl by neutron powder diffraction Journal of the Ceramic Society of Japan, 1993, 101, 745-751 |
| 1544409 | CIF | Cl0.71 Cu7.55 N0.29 O8.87 | F m -3 m | 9.3806; 9.3806; 9.3806 90; 90; 90 | 825.45 | Hayakawa, H.; Akiba, E.; Ono, S.; Ihara, H.; Izumi, F.; Asano, H. Refinement of the crystal strcutures of Cu6O8InCl and Cu6O8Cu2Cl by neutron powder diffraction Journal of the Ceramic Society of Japan, 1993, 101, 745-751 |
| 1544410 | CIF | Hf O2 | P b c a | 10.0172; 5.2276; 5.0598 90; 90; 90 | 264.961 | Ohtaka, O.; Yamanaka, T.; Kume, S. Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi, 1991, 99, 826-827 |
| 1544411 | CIF | Ca2 Na2 Nb4 O13 | I 4/m m m | 3.8716; 3.8716; 36.937 90; 90; 90 | 553.66 | Sata, M.; Kono, Y.; Jin, T. Structural characterization and ion conductivity of MCa2NaNb4O13 (M=Rb,Na) with four units of perovskite layer Journal of the Ceramic Society of Japan, 1993, 101, 980-984 |
| 1544412 | CIF | Ca2 Na Nb4 O13 Rb | P 4/m m m | 3.8702; 3.8702; 18.8935 90; 90; 90 | 282.995 | Sata, M.; Kono, Y.; Jin, T. Structural characterization and ion conductivity of MCa2NaNb4O13 (M=Rb,Na) with four units of perovskite layer Journal of the Ceramic Society of Japan, 1993, 101, 980-984 |
| 1544413 | CIF | O2 Sn0.15 Ti0.85 | I 41/a m d | 3.8065; 3.8065; 9.6733 90; 90; 90 | 140.161 | Yamane, H.; Young, B.-C.; Hirai, T. Crystal structure of anatase-type TiO2-SnO2 solid solution prepared by CVD Journal of the Ceramic Society of Japan, 1992, 100, 1473-1474 |
| 1544414 | CIF | Ca2 H3.4 Na2 Nb4 O14.7 | I 4/m m m | 3.874; 3.874; 41.605 90; 90; 90 | 624.4 | Sata, M.; Kono, Y.; Jin, T. Structural characterization and ion conductivity of MCa2NaNb4O13 (M=Rb,Na) with four units of perovskite layer Journal of the Ceramic Society of Japan, 1993, 101, 980-984 |
| 1544415 | CIF | C30 H48 O5 | P 1 21 1 | 11.3157; 38.855; 13.6376 90; 113.036; 90 | 5517.9 | Lv, Xiao-Jing; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Li, Yu-Huan; Zhang, Dan; Li, Li; Yu, Shi-Shan Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia Journal of Natural Products, 2016 |
| 1544416 | CIF | C22 H26 N2 O2 | P 1 21/n 1 | 6.2924; 7.7144; 38.6461 90; 93.863; 90 | 1871.7 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544417 | CIF | C24 H30 N2 O2 | P 1 21/n 1 | 6.289; 7.8879; 40.5613 90; 93.043; 90 | 2009.29 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544418 | CIF | C20 H21 Cl N2 O2 | P 1 21/c 1 | 19.5375; 5.7715; 8.0452 90; 91.793; 90 | 906.74 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544419 | CIF | C24 H30 N2 O2 | P 1 21/c 1 | 15.0462; 6.2345; 32.4582 90; 96.519; 90 | 3025.07 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544420 | CIF | C22 H26 N2 O2 | P 1 21/c 1 | 9.6897; 5.9729; 16.0765 90; 90.997; 90 | 930.3 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544421 | CIF | C24 H30 N2 O2 | C 1 2/c 1 | 36.811; 6.3458; 8.754 90; 97.952; 90 | 2025.2 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544422 | CIF | C22 H26 N2 O2 | P b c a | 11.3119; 7.3309; 22.1215 90; 90; 90 | 1834.46 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
| 1544423 | CIF | C12 H12 F N O3 | P 21 21 21 | 5.6649; 19.698; 20.708 90; 90; 90 | 2310.7 | Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement. Organic letters, 2016, 18, 5804 |
| 1544424 | CIF | C16 H12 F N O3 | P 1 c 1 | 8.5173; 5.5799; 28.549 90; 95.813; 90 | 1349.8 | Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement. Organic letters, 2016, 18, 5804 |
| 1544425 | CIF | Ca2 K Nb3 O10 | P 1 21/m 1 | 7.7418; 7.77073; 14.859 90; 97.51; 90 | 886.24 | Tokumitsu, T.; Toda, S.; Aoyagi, T.; Sakuraba, D.; Uematsu, K.; Sato, M. Powder neutron diffraction study of layered perovskite, KCa2Nb3O10 Journal of the Ceramic Society of Japan, 2006, 114, 795-797 |
| 1544426 | CIF | O3 Pb Ti0.55 Zr0.45 | P 4 m m | 4.026; 4.026; 4.1241 90; 90; 90 | 66.846 | Idemoto, Y.; Yoshikoshi, H.; Koura, N.; Takeuchi, K.; Richardson, Jr, J.W.; Loong, C.-K. Relation between the crystal structure, physical properties and ferroelectric properties of PbZrxTi1-xO3 (x=0.40, 0.45, 0.52) ferroelectric material by heat treatment Journal of the Ceramic Society of Japan, 2004, 112, 40-45 |
| 1544427 | CIF | Ce2 O7 Zr2 | F d -3 m | 10.75; 10.75; 10.75 90; 90; 90 | 1242 | Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H. Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5 Journal of the Ceramic Society of Japan, 2004, 112, 440-444 |
| 1544428 | CIF | Ce2 O7.5 Zr2 | F -4 3 m | 10.6451; 10.6451; 10.6451 90; 90; 90 | 1206.28 | Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H. Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5 Journal of the Ceramic Society of Japan, 2004, 112, 440-444 |
| 1544429 | CIF | La Li O4 Ti | P 4/n m m | 3.7718; 3.7718; 12.0829 90; 90; 90 | 171.897 | Toda, K.; Kurita, S.; Sato, M. New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4 Journal of the Ceramic Society of Japan, 1996, 104, 140-142 |
| 1544430 | CIF | Eu Li O4 Ti | P b c m | 11.4155; 5.355; 5.353 90; 90; 90 | 327.23 | Toda, K.; Kurita, S.; Sato, M. New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4 Journal of the Ceramic Society of Japan, 1996, 104, 140-142 |
| 1544431 | CIF | H3.8 La Na O8.9 Ta2 | I 4/m m m | 3.895; 3.895; 25.835 90; 90; 90 | 391.94 | Toda, K.; Uematsu, K.; Sato, M. Structure determination of new layered perovskite compound, NaLaTa2O7, synthesized by ion-exchange reaction Journal of the Ceramic Society of Japan, 1997, 105, 482-485 |
| 1544432 | CIF | La Na O7 Ta2 | I 4/m m m | 3.8955; 3.8955; 21.436 90; 90; 90 | 325.29 | Toda, K.; Uematsu, K.; Sato, M. Structure determination of new layered perovskite compound, NaLaTa2O7, synthesized by ion-exchange reaction Journal of the Ceramic Society of Japan, 1997, 105, 482-485 |
| 1544433 | CIF | La2 Na2 O10 Ti3 | I 4/m m m | 3.83528; 3.83528; 28.5737 90; 90; 90 | 420.301 | Toda, K.; Kameo, Y.; Fujimoto, M.; Sato, M. Crystal structure and ionic conductivity of a layered perovskite, Na2La2Ti3O10 Journal of the Ceramic Society of Japan, 1994, 102, 737-741 |
| 1544434 | CIF | C3 H12 B2 N6 O6 | P 1 21/c 1 | 3.596; 20.111; 14.1092 90; 92.12; 90 | 1019.7 | Kawasaki, T.; Kuroda, Y.; Nishikawa, H. The crystal structure of melamine diborate Journal of the Ceramic Society of Japan, 1996, 104, 935-038 |
| 1544435 | CIF | Nb0.667 O3 Pb Zn0.333 | R 3 m :H | 5.7411; 5.7411; 7.044 90; 90; 120 | 201.07 | Matsushima, Y.; Ishizawa, N.; Wakiya, N.; Mizutani, N. Structural study of PbZn1/3Nb2/3O3 by single crystal X-ray diffraction an EXAFS Journal of the Ceramic Society of Japan, 2000, 108, 617-622 |
| 1544436 | CIF HKL Paper | C10 H26 Mn2 N2 O18 | P 1 21/n 1 | 8.2623; 16.1821; 9.4702 90; 111.917; 90 | 1174.66 | Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate] IUCrData, 2016, 1, x161639 |
| 1544437 | CIF HKL Paper | C17 H21 N3 O S | P b c a | 11.7947; 14.2221; 18.7864 90; 90; 90 | 3151.3 | de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof 4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide IUCrData, 2016, 1, x161730 |
| 1544438 | CIF HKL Paper | C24 H36 N2 O2 | P -1 | 8.2589; 8.3715; 18.097 87.327; 82.242; 63.248 | 1106.9 | Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2016, 1, x161696 |
| 1544439 | CIF HKL Paper | C20 H20 N2 O4 S | P 1 21/c 1 | 13.4883; 8.23273; 16.8923 90; 93.8; 90 | 1871.69 | Al-Taifi, Elham A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P. Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate IUCrData, 2016, 1, x161715 |
| 1544440 | CIF HKL Paper | C34 H27 N5 O2 | P b c a | 14.7421; 17.5573; 21.4675 90; 90; 90 | 5556.5 | Seethalakshmi, P.; Palanivel, C. 1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile IUCrData, 2016, 1, x161686 |
| 1544441 | CIF HKL Paper | C48 H35 F12 Gd N2 O8 S4 | P 1 21/n 1 | 10.5; 21.888; 23.348 90; 101.145; 90 | 5265 | Wu, Da-Jun; Fang, Bin (<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate IUCrData, 2016, 1, x161727 |
| 1544442 | CIF HKL Paper | C13 H11 N3 O2 | C 1 2/c 1 | 20.8964; 5.9156; 21.9821 90; 120.415; 90 | 2343.4 | Paswan, Santosh; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P. 5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine IUCrData, 2016, 1, x161724 |
| 1544443 | CIF | C24 H16 O2 S2 | P 1 21/n 1 | 9.6533; 13.2733; 15.1062 90; 90.485; 90 | 1935.51 | Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci., 2017, 8, 1909 |
| 1544444 | CIF | C37 H24 Cl2 O2 S3 | C 1 2/c 1 | 9.3865; 12.1945; 26.4154 90; 94.268; 90 | 3015.22 | Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci., 2017, 8, 1909 |
| 1544445 | CIF | O5.5 Sr3 Ta | F m -3 m | 8.337; 8.337; 8.337 90; 90; 90 | 579.468 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544446 | CIF | Nd O6 Sr2 Ta | P 1 21/n 1 | 5.867; 5.9798; 8.3608 90; 89.771; 90 | 293.324 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544447 | CIF | Ca O5.5 Sr2 Ta | F m -3 m | 8.2408; 8.2408; 8.2408 90; 90; 90 | 559.64 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544448 | CIF | Ca0.1 O5.5 Sr2.9 Ta | F m -3 m | 8.319; 8.319; 8.319 90; 90; 90 | 575.72 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544449 | CIF | Ca0.5 O5.5 Sr1.5 Ta | F m -3 m | 8.2725; 8.2725; 8.2725 90; 90; 90 | 566.122 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544450 | CIF | Ca0.7 O5.5 Sr2.3 Ta | F m -3 m | 8.2604; 8.2604; 8.2604 90; 90; 90 | 563.642 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544451 | CIF | Ca0.9 O5.5 Sr2.1 Ta | F m -3 m | 8.2509; 8.2509; 8.2509 90; 90; 90 | 561.7 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544452 | CIF | Nd0.7 O5.85 Sr2.3 Ta | P 1 21/n 1 | 5.8985; 5.8998; 8.2482 90; 89.982; 90 | 287.04 | Kato, S.; Abe, T.; Sugai, M.; Takizawa, H.; Endo, T. Synthesis and lattice distortion of the perovskite-type oxides Sr2(Sr1-xMx)TaOz (M=Ca,Nd) Journal of the Ceramic Society of Japan, 1999, 107, 633-638 |
| 1544453 | CIF | Co0.4 Cu1.6 O5 Sc2 | P n a 21 | 10.427; 3.2112; 12.069 90; 90; 90 | 404.11 | Imanaka, N.; Shimizu, T.; Saito, F.; Kobayashi, Y.; Adachi, G.; Liu, G.; Greedan, Edward, J. Structure and magnetic properties of quasi-one dimensional cobalt-doped scandium cuprate compounds Journal of the Ceramic Society of Japan, 1995, 103, 330-334 |
| 1544454 | CIF | Ir Nd3 O7 | P 1 21/n 1 | 6.6024; 12.4268; 7.4938 90; 90; 98.35 | 608.32 | Nishimine, H.; Doi, Y.; Hinatsu, Y.; Sato, M. Phase transition of Ln3IrO7 (Ln=Pr,Nd,Sm,Eu) and its low-temperature structure Journal of the Ceramic Society of Japan, 2007, 115, 557-581 |
| 1544455 | CIF | Ir Nd3 O7 | C m c m | 10.8991; 7.4464; 7.493 90; 90; 90 | 608.12 | Nishimine, H.; Doi, Y.; Hinatsu, Y.; Sato, M. Phase transition of Ln3IrO7 (Ln=Pr,Nd,Sm,Eu) and its low-temperature structure sample: at 400 K Journal of the Ceramic Society of Japan, 2007, 115, 557-581 |
| 1544456 | CIF | Ag O2 Yb | R -3 m | 3.372; 3.372; 18.214 90; 90; 120 | 179.35 | Saito, A.; Sawaguchi, N.; Sasaki, M. Synthesis and crystal structure of AgYbO2 Journal of the Ceramic Society of Japan, 2008, 116, 118-120 |
| 1544457 | CIF | Ba La Mn O4 | C c c m | 5.504; 5.502; 13.265 90; 90; 90 | 401.7 | Nakano, H.; Kawabata, N.; Kamegashira, N. New phase of BaLaMnO4-x formed by annealing in a reduced atmosphere Journal of the Ceramic Society of Japan, 2008, 116, 445-448 |
| 1544458 | CIF | C11 H11 Cl N2 O5 | P 1 21/c 1 | 6.98145; 21.3099; 8.10016 90; 97.9679; 90 | 1193.46 | Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides. Chemical science, 2017, 8, 1570-1575 |
| 1544459 | CIF | H2 O25 Ti12 | C 1 2/m 1 | 12.4485; 3.74414; 19.9523 90; 95.244; 90 | 926.06 | Kataoka, K.; Akimoto, J. Soft chemical synthesis and crystal structure of novel hydrogen titanium oxide H2Ti12O25 Journal of the Ceramic Society of Japan, 2016, 124, 710-713 |
| 1544460 | CIF | Al7.61 N6.39 O2.61 Si0.39 | P 63/m m c | 3.05831; 3.05831; 42.9942 90; 90; 120 | 348.26 | Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K. Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6) Journal of the Ceramic Society of Japan, 2016, 124, 875-880 |
| 1544461 | CIF | Ce Li O8 W2 | I 41/a | 5.294; 5.294; 11.498 90; 90; 90 | 322.2 | Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan, 2016, 124, 938-942 |
| 1544462 | CIF | C27 H32 N2 O7 | P -1 | 9.067; 9.572; 14.08 89.833; 82.205; 85.541 | 1207 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544463 | CIF | C25 H32 Cl2 N2 O6 | P 21 21 21 | 7.8529; 15.3187; 20.944 90; 90; 90 | 2519.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544464 | CIF | C31 H38 N2 O5 | I 4 | 27.2685; 27.2685; 7.6863 90; 90; 90 | 5715.3 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544465 | CIF | C25 H30 N2 O7 | P 21 21 21 | 8.9658; 14.5779; 17.7311 90; 90; 90 | 2317.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544466 | CIF | Al7.9 N8.1 O1.9 Si1.1 | R -3 m | 3.05991; 3.05991; 71.454 90; 90; 120 | 579.395 | Banno, H.; Asaka, T.; Fukuda, K. Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9) Journal of the Ceramic Society of Japan, 2014, 122, 281-287 |
| 1544467 | CIF | Co Li Mn O4 | F d -3 m | 8.05812; 8.05812; 8.05812 90; 90; 90 | 523.24 | Hamada, Y.; Hamao, N.; Kataoka, K.; Ishida, N.; Idemoto, Y.; Akimoto, J. Single crystal synthesis, crystal structure and electrochemical property of spinel-type LiCoMnO4 as 5 V positive electrode materials Journal of the Ceramic Society of Japan, 2016, 124, 706-710 |
| 1544468 | CIF | Eu2 O7 Zr2 | F d -3 m | 10.556; 10.556; 10.556 90; 90; 90 | 1176.25 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544469 | CIF | La2 O7 Zr2 | F d -3 m | 10.809; 10.809; 10.809 90; 90; 90 | 1262.86 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544470 | CIF | La2 O7 Zr2 | F d -3 m | 10.812; 10.812; 10.812 90; 90; 90 | 1263.92 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544471 | CIF | Nd2 O7 Zr2 | F d -3 m | 10.631; 10.631; 10.631 90; 90; 90 | 1201.5 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544472 | CIF | Mn O3 Sm | P b n m | 5.365; 5.8541; 7.468 90; 90; 90 | 234.55 | Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y. Structural investigation of magnetocapacitive SmMnO3 Journal of the Ceramic Society of Japan, 2013, 121, 265-267 |
| 1544473 | CIF | Mn O3 Sm | P b n m | 5.3694; 5.8649; 7.4803 90; 90; 90 | 235.56 | Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y. Structural investigation of magnetocapacitive SmMnO3 Journal of the Ceramic Society of Japan, 2013, 121, 265-267 |
| 1544474 | CIF | Li2 Mn O3 | C 1 2/m 1 | 4.9329; 8.5351; 5.026 90; 109.314; 90 | 199.7 | Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan, 2015, 123, 589-594 |
| 1544475 | CIF | C22 H36 O7 | P 1 21 1 | 9.2381; 6.9763; 16.891 90; 90.987; 90 | 1088.43 | Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S. Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species Journal of Natural Products, 2016 |
| 1544476 | CIF | C29 H20 Br N O2 | P 21 21 21 | 9.7525; 12.6566; 18.224 90; 90; 90 | 2249.5 | Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones. Organic letters, 2016, 18, 5920-5923 |
| 1544477 | CIF | C22 H17 N O2 | P 21 21 21 | 9.2696; 12.0477; 15.0296 90; 90; 90 | 1678.47 | Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones. Organic letters, 2016, 18, 5920-5923 |
| 1544478 | CIF | C44 H56 N3 O Rh | P 1 21/n 1 | 11.4926; 17.417; 19.109 90; 103.684; 90 | 3716.4 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544479 | CIF | C45 H58 N3 O Rh | P 1 21/n 1 | 11.3475; 17.783; 19.583 90; 103.994; 90 | 3834.4 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544480 | CIF | C63 H72 N3 O Rh | P 1 21/n 1 | 11.4003; 29.8414; 16.2873 90; 105.512; 90 | 5339.1 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544481 | CIF | C20 H15 Br Cl2 O S | P 1 21/c 1 | 5.0603; 21.361; 17.169 90; 96.419; 90 | 1844.2 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544482 | CIF | C24 H16 Cl N O3 S | P 1 21/c 1 | 18.742; 15.6215; 13.97 90; 98.216; 90 | 4048.1 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544483 | CIF | C11 H8.5 F1.5 O2 S | P 1 21/c 1 | 6.0792; 14.673; 23.976 90; 91.386; 90 | 2138 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544484 | CIF | C45 H54 N4 O11 | P 43 21 2 | 16.2628; 16.2628; 35.9975 90; 90; 90 | 9520.6 | Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. Journal of natural products, 2016, 79, 2709-2717 |
| 1544485 | CIF | C25 H38 O10 | P 1 21 1 | 9.1262; 11.2141; 13.5183 90; 99.968; 90 | 1362.61 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544486 | CIF | C24 H34 O9 | P 21 21 21 | 9.8736; 18.0856; 27.7795 90; 90; 90 | 4960.6 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544487 | CIF | C20 H32 O10 | P 21 21 21 | 10.3232; 11.0194; 19.2565 90; 90; 90 | 2190.53 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544488 | CIF | C25 H36 O9 | P 32 2 1 | 18.458; 18.458; 28.8647 90; 90; 120 | 8516.61 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544489 | CIF | C19 H32 O10 | P 41 | 10.2307; 10.2307; 20.5352 90; 90; 90 | 2149.36 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544490 | CIF | C25 H34 O9 | P 21 21 21 | 9.1352; 13.4879; 20.6303 90; 90; 90 | 2542 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544491 | CIF | C25 H36 O9 | P 32 2 1 | 18.4959; 18.4959; 28.8516 90; 90; 120 | 8547.7 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544492 | CIF | C25 H34 O9 | P 1 21 1 | 9.0537; 9.9085; 13.6295 90; 93.611; 90 | 1220.26 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544493 | CIF | C26 H40 O10 | P 61 | 22.8955; 22.8955; 9.7127 90; 90; 120 | 4409.31 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544494 | CIF | C23 H34 O8 | P 21 21 21 | 5.7156; 18.5622; 23.127 90; 90; 90 | 2453.64 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544495 | CIF | Ca0.47 Co O2 | P 1 | 4.924; 5.683; 5.685 75.4; 89.974; 81.261 | 152.04 | Miyazaki, Y.; Huang, X.; Kajiwara, T.; Yamane, H.; Kajitani, T. Synthesis, crystal structure and physical properties of layered cobalt oxide CaxCoO2 (x~0.47) Journal of the Ceramic Society of Japan, 2009, 117, 42-46 |
| 1544496 | CIF | C6 Al3.96 Ge0.04 Zr3 | R 3 m :H | 3.31897; 3.31897; 46.7309 90; 90; 120 | 445.801 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544497 | CIF | C5 Al3.93 Ge0.07 Zr2 | R 3 m :H | 3.32256; 3.32256; 40.9434 90; 90; 120 | 391.435 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544498 | CIF | C7 Al7.52 Si0.48 Zr | R -3 m | 3.32214; 3.32214; 57.8236 90; 90; 120 | 552.677 | Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4 Journal of the Ceramic Society of Japan, 2009, 117, 37-41 |
| 1544499 | CIF | C4 Al3.84 Si0.16 Zr | P 3 m 1 | 3.32349; 3.32349; 21.99241 90; 90; 120 | 210.374 | Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4 Journal of the Ceramic Society of Japan, 2009, 117, 37-41 |
| 1544500 | CIF | Ga2 Mn Sb4 | I b a 2 | 11.807; 5.958; 5.858 90; 90; 90 | 412.1 | Sakakibara, W.; Hayashi, Y.; Takizawa, H. MnGa2Sb2, a new ferromagnetic compound synthesized under high pressure Journal of the Ceramic Society of Japan, 2009, 117, 72-75 |
| 1544501 | CIF | Ba S4 Sm2 | P n m a | 12.2464; 4.1219; 14.6816 90; 90; 90 | 741.1 | Misawa, Y.; Doi, Y.; Hinatsu, Y. Crystal structures and magnetic properties of ternary sulfides BaLn2S4 (Ln = Sm, Gd-Lu) Journal of the Ceramic Society of Japan, 2009, 117, 85-88 |
| 1544502 | CIF | Co5 O14.3 Sr6 | R 3 | 9.4334; 9.4334; 12.5156 90; 90; 120 | 964.54 | Iwasaki, K; Yamane, H.; Murase, T.; Yoshino, M.; Ito, T.; Nagasaki, T.; Arita, Y.; Matsui, T. Crystal structure of an oxygen deficient strontium cobaltate, Sr6Co5O14.3 Journal of the Ceramic Society of Japan, 2009, 117, 89-93 |
| 1544503 | CIF | Al0.91 Ca0.88 N2.85 O0.15 Si1.09 | C m c 21 | 9.802; 5.6506; 5.0633 90; 90; 90 | 280.442 | Uheda, K.; Yamamoto, H.; Yamane, H.; Inami, W.; Tsuda, K.; Yamamoto, Y.; Hirosaki, N. An analysis of crystal structure of Ca-deficient oxonitridoaluminosilicate, Ca0.88Al0.91Si1.09N2.85O0.15 Journal of the Ceramic Society of Japan, 2009, 117, 94-98 |
| 1544504 | CIF | Fe0.5 O3 Pb V0.5 | P 4 m m | 3.8034; 3.8034; 4.5097 90; 90; 90 | 65.237 | Tsuchiya, T.; Katsumata, T.; Ohba, T.; Inaguma, Y. High-pressure synthesis and characterization of a novel perovskite PbFe1/2V1/2O3 Journal of the Ceramic Society of Japan, 2009, 117, 102-105 |
| 1544505 | CIF | Ba0.96 Bi0.86 H0.41 O3 | P m -3 m | 4.2995; 4.2995; 4.2995 90; 90; 90 | 79.479 | Jiang, H.; Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Hydrothermal synthesis of a new perovskite-type bismuth oxide: Ba0.96Bi0.86O2.59(OH)0.41 Journal of the Ceramic Society of Japan, 2009, 117, 214-216 |
| 1544506 | CIF | H11 N2 O14 P3 Zr2 | C 1 2/c 1 | 17.093; 8.748; 9.216 90; 103.69; 90 | 1338.9 | Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N. Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction Journal of the Ceramic Society of Japan, 2011, 119, 412-416 |
| 1544507 | CIF | H4 N O12 P3 Zr2 | P 21 3 | 10.198; 10.198; 10.198 90; 90; 90 | 1060.58 | Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N. Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction Journal of the Ceramic Society of Japan, 2011, 119, 412-416 |
| 1544508 | CIF | C29 H23 Cl N4 O2 | P -1 | 11.0894; 11.1837; 11.8059 63.655; 83.383; 68.088 | 1215.08 | Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization. Organic letters, 2016, 18, 4706-4709 |
| 1544509 | CIF | C H8 Ho N O9 P S | P 1 21/a 1 | 12.938; 6.834; 9.1 90; 88.12; 90 | 804.2 | Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R. Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine) Journal of the Ceramic Society of Japan, 2010, 118, 236-240 |
| 1544510 | CIF | C16 H20 Cl2 Ir N2 O2 | P -1 | 7.8768; 8.0811; 8.6738 68.1; 66.086; 61.433 | 432.1 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544511 | CIF | C16 H20 Cl2 Ir N2 O2 | I 41/a | 16.9129; 16.9129; 25.3688 90; 90; 90 | 7256.6 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544512 | CIF | C16 H23 Cl2 Ir N2 O3 | P -1 | 8.8884; 9.6675; 12.5862 95.132; 109.482; 110.349 | 929.79 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544513 | CIF | C18 H24 Cl2 Ir N2 O3 | P 1 21/n 1 | 7.9001; 18.4626; 14.3136 90; 95.04; 90 | 2079.66 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544514 | CIF | C17 H22 Cl4 Ir N2 O2 | P 1 21/n 1 | 8.7599; 15.6388; 15.6017 90; 98.373; 90 | 2114.56 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544515 | CIF | C33 H48 Cl6 Ir2 N4 O6 | P 1 21/c 1 | 9.044; 13.823; 17.039 90; 95.227; 90 | 2121 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544516 | CIF | C8 H15 Cl4 Ir N Na O3.5 | P -1 | 8.4303; 13.4446; 14.3559 74.431; 85.859; 81.771 | 1550.31 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544517 | CIF | C33 H42 Cl6 Ir2 N4 O4 | P b c a | 14.9782; 15.0278; 17.4463 90; 90; 90 | 3927 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544518 | CIF | C11 H17.91 Cl Cu N7 O6 | P 21 21 21 | 6.9919; 11.5174; 20.7014 90; 90; 90 | 1667.05 | Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework Faraday Discuss., 2016 |
| 1544519 | CIF | As2 Ba O10 V2 | I 41/a :2 | 18.384; 18.384; 4.651 90; 90; 90 | 1571.9 | Wang, Sue-Lein; Cheng, Chih-Yi A(VO)2(AsO4)2 (A = Ba or Sr) : Two vanadyl(IV) arsenates containing dimers of edge-sharing VO6 octahedra Journal of Solid State Chemistry, 1994, 109, 277-280 |
| 1544520 | CIF | As2 O10 Sr V2 | I 41/a :2 | 18.131; 18.131; 4.669 90; 90; 90 | 1534.9 | Wang, Sue-Lein; Cheng, Chih-Yi A(VO)2(AsO4)2 (A = Ba or Sr) : Two vanadyl(IV) arsenates containing dimers of edge-sharing VO6 octahedra Journal of Solid State Chemistry, 1994, 109, 277-280 |
| 1544521 | CIF | C26 H32 N2 O4 Si | P 1 21/n 1 | 11.118; 19.642; 12.625 90; 110.85; 90 | 2576.5 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544522 | CIF | C20 H18 N2 O4 | C 1 2/c 1 | 35.35; 5.606; 21.4 90; 124.417; 90 | 3498 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544523 | CIF | C26 H32 N4 O4 Si | P -1 | 11.071; 13.272; 18.896 78.005; 87.787; 84.779 | 2704 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544524 | CIF | C17 H18 B Br F4 N4 | P 1 21/n 1 | 9.3019; 20.691; 10.107 90; 96.604; 90 | 1932.3 | Joshi, Madhur S.; Pigge, F. Christopher Construction of 1,2,4-Triazole Derivatives via Cyclocondensation of Alkylidene Dihydropyridines and Aryldiazonium Salts. Organic letters, 2016, 18, 5916-5919 |
| 1544525 | CIF HKL Paper | C8 H11 N O4 S | P 1 21/m 1 | 8.0644; 6.941; 8.6192 90; 105.039; 90 | 465.94 | Kennedy, Alan R.; Silva de Moraes, Lygia 4-Ammonio-5-methoxy-2-methylbenzenesulfonate IUCrData, 2016, 1, x161778 |
| 1544526 | CIF HKL | C9 H6 Cl N O S2 | P 1 21/n 1 | 3.9268; 20.752; 12.3431 90; 99.182; 90 | 992.9 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa 5-Anilino-4-chloro-3<i>H</i>-1,2-dithiol-3-one IUCrData, 2016, 1, x161736 |
| 1544527 | CIF HKL | C61 H91 N11 O9 | P 21 21 21 | 9.6524; 22.6947; 29.0945 90; 90; 90 | 6373.4 | Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T. [1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate IUCrData, 2016, 1, x161706 |
| 1544528 | CIF HKL Paper | C2 H8 Cl2 N4 Pb S2 | P n a 21 | 21.1951; 4.028; 11.9433 90; 90; 90 | 1019.65 | Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K IUCrData, 2016, 1, x161745 |
| 1544529 | CIF HKL | C18 H18 O4 S3 | C 1 2/c 1 | 15.071; 4.4304; 27.422 90; 106.59; 90 | 1754.8 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa Diethyl 2,2'-(trisulfane-1,3-diyl)dibenzoate IUCrData, 2016, 1, x161708 |
| 1544530 | CIF HKL Paper | C12 H10 N2 O4 | C 1 2/c 1 | 23.9226; 7.1372; 13.0562 90; 99.158; 90 | 2200.8 | Eltayeb, Naser Eltaher Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate IUCrData, 2016, 1, x161689 |
| 1544531 | CIF HKL Paper | C18 H22 Cl Mn N2 O10 | P b c a | 13.978; 13.208; 22.137 90; 90; 90 | 4087 | Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K IUCrData, 2016, 1, x161735 |
| 1544532 | CIF HKL Paper | C13 H12 N6 O | P 1 21/c 1 | 14.7907; 4.80351; 17.1203 90; 92.067; 90 | 1215.56 | Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R. 6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide IUCrData, 2016, 1, x161742 |
| 1544533 | CIF | H O6 P Tl V | P b c a | 9.257; 17.518; 6.81 90; 90; 90 | 1104.3 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
| 1544534 | CIF | H O16 P3 Tl3 V3 | P n m a | 7.16; 13.378; 14.422 90; 90; 90 | 1381.4 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
| 1544535 | CIF | H3 Ni0.5 O6.5 P V | P n m a | 10.344; 9.35; 9.731 90; 90; 90 | 941.1 | Lii, K. H.; Mao, L. F. Hydrothermal synthesis and structural characterization of a nickel(II) vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O Journal of Solid State Chemistry, 1992, 96, 436-441 |
| 1544536 | CIF | C24 H18 Br N O3 | P 21 21 21 | 8.8078; 9.5713; 23.675 90; 90; 90 | 1995.9 | Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate. Chemical science, 2017, 8, 1936-1941 |
| 1544537 | CIF | C49 H10 Au F15 I4 N4 | P 1 21/c 1 | 7.33; 22.65; 28.2 90; 101.877; 90 | 4582 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544538 | CIF | C37.66667 H8.66667 Au Cl2 F15 N4 | I 41/a :2 | 21.092; 21.092; 45.876 90; 90; 90 | 20409 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544539 | CIF | C38 H6 Cl2 Cu F15 I4 N4 | P 1 21/c 1 | 20.019; 13.865; 15.727 90; 111.499; 90 | 4061.5 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544540 | CIF | C41 H54 O9 | P -1 | 10.923; 14.1551; 14.1908 108.623; 93.277; 90.412 | 2075.1 | Tian, Dong Song; Yi, Ping; Xia, Lei; Xiao, Xin; Fan, Yi Min; Gu, Wei; Huang, Lie Jun; Ben-David, Yaacov; Di, Ying Tong; Yuan, Chun Mao; Hao, Xiao Jiang Garmultins A–G, Biogenetically Related Polycyclic Acylphloroglucinols from Garcinia multiflora Organic Letters, 2016 |
| 1544541 | CIF HKL Paper | C15 H13 N O2 | P -1 | 9.455; 11.9077; 12.212 62.429; 79.276; 77.627 | 1184.46 | Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R. 3-(9<i>H</i>-Carbazol-9-yl)propanoic acid IUCrData, 2016, 1, x161787 |
| 1544542 | CIF HKL Paper | C22 H14 Cl2 N4 Zn | P 1 21/n 1 | 10.804; 13.6433; 13.2159 90; 97.8812; 90 | 1929.65 | Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki [2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc IUCrData, 2016, 1, x161779 |
| 1544543 | CIF HKL Paper | C22 H18 Fe2 O3 | P b c a | 14.8773; 12.2499; 19.3288 90; 90; 90 | 3522.59 | McAdam, C. John; Simpson, Jim Ferrocenecarboxylic anhydride: a redetermination IUCrData, 2016, 1, x161769 |
| 1544544 | CIF HKL Paper | C44 H54 Cd N4 O10 | P -1 | 6.366; 15.282; 21.575 88.968; 87.985; 79.217 | 2060.5 | Travis, Jamelah Z.; LaDuca, Robert L. <i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>'] IUCrData, 2016, 1, x161764 |
| 1544545 | CIF HKL Paper | C10 H12 O3 | P 1 21/c 1 | 7.9543; 13.3271; 8.8107 90; 92.761; 90 | 932.92 | Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 1-(3,4-Dimethoxyphenyl)ethanone IUCrData, 2016, 1, x161794 |
| 1544546 | CIF HKL Paper | C17 H14 Cl N3 O4 | P -1 | 7.5691; 7.7907; 14.904 101.911; 91.311; 107.224 | 818.06 | Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter 2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole IUCrData, 2016, 1, x161782 |
| 1544547 | CIF | Al H O2 | P 21 n m | 4.71247; 4.22417; 2.83203 90; 90; 90 | 56.3752 | Komatsu, K.; Sano-Furukawa, A.; Kagi, H. Effects of Mg and Si ions on the symmetry of delta-AlOOH Physics and Chemistry of Minerals, 2011, 38, 727-733 |
| 1544548 | CIF | Al0.84 H Mg0.07 O2 Si0.07 | P n n m | 4.70456; 4.21232; 2.83681 90; 90; 90 | 56.2174 | Komatsu, K.; Sano-Furukawa, A.; Kagi, H. Effects of Mg and Si ions on the symmetry of delta-AlOOH Physics and Chemistry of Minerals, 2011, 38, 727-733 |
| 1544549 | CIF | Al H3 O3 | P 21 21 21 | 5.13972; 7.2556; 5.06349 90; 90; 90 | 188.826 | Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T. The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations American Mineralogist, 2011, 96, 854-859 |
| 1544550 | CIF | As Fe O4 | P 1 21/n 1 | 7.5636; 8.0795; 5.0117 90; 104.47; 90 | 296.55 | Cheetham, A.K.; David, W.I.F.; Eddy, M.M.; Jakeman, R.J.B.; Johnson, M.W.; Torardi, C.C. Crystal structure determination by powder neutron diffraction at the spallation neutron source, ISIS Nature, 1986, 320, 46-48 |
| 1544551 | CIF | Al O4 P | C m c m | 5.0365; 7.2908; 5.7491 90; 90; 90 | 211.11 | Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M. Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa Nature Materials, 2007, 6, 698-702 |
| 1544552 | CIF | Al O4 P | P 1 2/m 1 | 3.838; 2.506; 4.036 90; 87.4; 90 | 38.78 | Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M. Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa Nature Materials, 2007, 6, 698-702 |
| 1544553 | CIF | C46 H32 O5 | P 21 21 21 | 9.6965; 17.3653; 19.2464 90; 90; 90 | 3240.8 | Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri A mechanistic study of the Lewis acid–Brønsted base–Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone Catal. Sci. Technol., 2017, 7, 90 |
| 1544554 | CIF | C25 H32 Si2 | P b c a | 6.657; 34.537; 19.811 90; 90; 90 | 4555 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
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