Crystallography Open Database
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Searching space group like 'P 21 21 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7243011 | CIF | C12 H11 N3 | P 21 21 21 | 5.84375; 7.34622; 23.48048 90; 90; 90 | 1008.01 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243012 | CIF | C24 H22 N6 | P 21 21 21 | 5.7261; 7.5472; 23.5464 90; 90; 90 | 1017.58 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243013 | CIF | C12 H11 N3 | P 21 21 21 | 5.81332; 7.24959; 23.5153 90; 90; 90 | 991.03 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243014 | CIF | C12 H11 N3 | P 21 21 21 | 5.83819; 7.32399; 23.4915 90; 90; 90 | 1004.47 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243015 | CIF | C12 H11 N3 | P 21 21 21 | 5.86137; 7.42616; 23.4265 90; 90; 90 | 1019.7 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243016 | CIF | C12 H11 N3 | P 21 21 21 | 5.84449; 7.34651; 23.4842 90; 90; 90 | 1008.33 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243017 | CIF | C12 H11 N3 | P 21 21 21 | 5.85593; 7.39741; 23.4532 90; 90; 90 | 1015.96 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243018 | CIF | C12 H11 N3 | P 21 21 21 | 5.83221; 7.30484; 23.5004 90; 90; 90 | 1001.2 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243019 | CIF | C12 H11 N3 | P 21 21 21 | 5.85561; 7.3967; 23.4494 90; 90; 90 | 1015.65 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243020 | CIF | C12 H11 N3 | P 21 21 21 | 5.82676; 7.28832; 23.5058 90; 90; 90 | 998.23 | Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443 |
| 7243066 | CIF | C24 H22 Si2 | P 21 21 21 | 7.7979; 36.7369; 14.1416 90; 90; 90 | 4051.15 | Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M. The photophysical properties of naphthalene bridged disilanes RSC Advances, 2021, 11, 21343-21350 |
| 7243119 | CIF | C16 H15 I O2 S | P 21 21 21 | 5.4771; 9.0324; 31.6646 90; 90; 90 | 1566.49 | Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature Green Chemistry, 2021, 23, 5467-5473 |
| 7243123 | CIF | C24 H27 N O5 | P 21 21 21 | 9.2258; 15.495; 15.6334 90; 90; 90 | 2234.9 | Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation RSC Advances, 2021, 11, 22849-22858 |
| 7243160 | CIF | C4 H3 N9 O4 | P 21 21 21 | 4.8786; 7.9416; 22.587 90; 90; 90 | 875.1 | Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021 |
| 7243231 | CIF | C18 H27 Cl2 N3 | P 21 21 21 | 8.1778; 10.86; 21.2146 90; 90; 90 | 1884.09 | Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473 |
| 7243232 | CIF | C14 H19 Cl2 N3 | P 21 21 21 | 8.4799; 11.2725; 16.0259 90; 90; 90 | 1531.91 | Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473 |
| 7243242 | CIF | C16 H24 Cl N O3 | P 21 21 21 | 6.82; 8.8363; 26.14 90; 90; 90 | 1575.29 | Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376 |
| 7243245 | CIF | C16 H24 Cl N O3 | P 21 21 21 | 6.7938; 8.6704; 27.7144 90; 90; 90 | 1632.52 | Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376 |
| 7243260 | CIF | C4 H10 N2 O4 | P 21 21 21 | 5.571; 9.766; 11.738 90; 90; 90 | 638.6 | Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462 |
| 7243380 | CIF | C10 H8 N4 Ni O5 | P 21 21 21 | 7.7733; 9.819; 14.7763 90; 90; 90 | 1127.82 | Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266 |
| 7243407 | CIF | C19 H14 N2 O6 | P 21 21 21 | 8.125; 13.7648; 15.2241 90; 90; 90 | 1702.6 | Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339 |
| 7243421 | CIF | C27 H32 N2 O6 | P 21 21 21 | 6.943; 17.066; 20.466 90; 90; 90 | 2425 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243424 | CIF | C23 H28 N2 O6 | P 21 21 21 | 6.6594; 11.845; 26.345 90; 90; 90 | 2078.11 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243425 | CIF | C27 H30 N2 O6 | P 21 21 21 | 8.978; 9.713; 28.903 90; 90; 90 | 2520 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243427 | CIF | C24 H28 F6 N2 O7 | P 21 21 21 | 6.722; 19.671; 20.29 90; 90; 90 | 2682.9 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243428 | CIF | C28 H34 N2 O6 | P 21 21 21 | 6.5291; 19.368; 20.431 90; 90; 90 | 2583.6 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243429 | CIF | C29 H33 N3 O7.5 S | P 21 21 21 | 15.5984; 15.7897; 23.5416 90; 90; 90 | 5798.2 | Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951 |
| 7243467 | CIF | C4 Ca3 K2 O12 | P 21 21 21 | 7.3905; 8.8156; 16.4817 90; 90; 90 | 1073.81 | Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D. High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4 CrystEngComm, 2021, 23, 6675-6681 |
| 7243486 | CIF | C62 H114.4 O33.2 | P 21 21 21 | 15.337; 20.728; 23.104 90; 90; 90 | 7345 | Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590 |
| 7243573 | CIF | C14 H20 O2 | P 21 21 21 | 5.0851; 13.6181; 18.784 90; 90; 90 | 1300.8 | Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa Separation of a diastereomeric diol pair using mechanical properties of crystals CrystEngComm, 2021 |
| 7243589 | CIF | C64 H32 Gd N16 | P 21 21 21 | 8.8412; 10.5892; 50.762 90; 90; 90 | 4752.4 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243592 | CIF | C64 H32 Dy N16 | P 21 21 21 | 8.8171; 10.5671; 50.648 90; 90; 90 | 4718.9 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243595 | CIF | C64 H32 N16 Tb | P 21 21 21 | 8.8136; 10.5756; 50.713 90; 90; 90 | 4726.9 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243596 | CIF | C64 H32 N16 Yb | P 21 21 21 | 8.7901; 10.5965; 50.568 90; 90; 90 | 4710.1 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243603 | CIF | C64 H32 N16 Sm | P 21 21 21 | 8.8201; 10.6092; 50.7567 90; 90; 90 | 4749.5 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243606 | CIF | C64 H32 N16 Nd | P 21 21 21 | 8.852; 10.604; 50.844 90; 90; 90 | 4772.6 | Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161 |
| 7243704 | CIF | C21 H19 N3 O S | P 21 21 21 | 7.2246; 11.8631; 20.815 90; 90; 90 | 1784 | Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow Green Chemistry, 2021, 23, 8916-8921 |
| 7243759 | CIF | C18 H15 N O3 S | P 21 21 21 | 8.79899; 12.17385; 15.22942 90; 90; 90 | 1631.34 | Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals CrystEngComm, 2021, 23, 7760-7770 |
| 7243786 | CIF | C26 H24 O S2 | P 21 21 21 | 5.6526; 10.0371; 36.8324 90; 90; 90 | 2089.71 | Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions RSC Advances, 2021, 11, 34071-34078 |
| 7243814 | CIF | C10 H20 Cu N6 S2 | P 21 21 21 | 12.8292; 13.3387; 18.2848 90; 90; 90 | 3129 | Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131 |
| 7243854 | CIF | C34 H55 N5 O8 | P 21 21 21 | 9.5985; 23.0985; 16.6315 90; 90; 90 | 3687.4 | Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish Structure–mechanical property relationship of a pentapeptide crystal CrystEngComm, 2021, 23, 8093-8098 |
| 7243870 | CIF | C36 H52 Cl3 N4 Ni O19 Zr3 | P 21 21 21 | 10.51; 16.988; 29.61 90; 90; 90 | 5287 | Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light CrystEngComm, 2021, 23, 8115-8120 |
| 7243890 | CIF | C24 H22 N4 O4 Zn | P 21 21 21 | 8.3124; 14.5576; 17.939 90; 90; 90 | 2170.8 | Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water CrystEngComm, 2022, 24, 169-181 |
| 7243936 | CIF | C22 H19 F2 N5 O2 S | P 21 21 21 | 7.892; 11.2256; 24.2967 90; 90; 90 | 2152.5 | Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526 |
| 7243938 | CIF | C22 H20 F2 N5 O5 P S | P 21 21 21 | 6.1215; 11.1722; 34.3989 90; 90; 90 | 2352.56 | Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance CrystEngComm, 2021, 23, 8513-8526 |
| 7243942 | CIF | C9 H12 N3 O5 | P 21 21 21 | 5.1022; 13.858; 14.596 90; 90; 90 | 1032 | Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630 |
| 7243944 | CIF | C23 H36 N2 O2 | P 21 21 21 | 6.66; 13.2; 26.77 90; 90; 90 | 2353 | Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630 |
| 7243947 | CIF | C9 H11 N O3 | P 21 21 21 | 5.96; 7.09; 21.59 90; 90; 90 | 912 | Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630 |
| 7243948 | CIF | C6 H12 O6 | P 21 21 21 | 5.177; 10.691; 15.272 90; 90; 90 | 845.3 | Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630 |
| 7243976 | CIF | C11 H10 Ca N2 O5 | P 21 21 21 | 6.7109; 10.271; 17.775 90; 90; 90 | 1225.19 | Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A. Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent CrystEngComm, 2022, 24, 601-608 |
| 7243979 | CIF | C16 H19 Cl N2 O | P 21 21 21 | 7.78804; 10.18953; 19.93923 90; 90; 90 | 1582.31 | Fauziev, Ruslan V.; Ivanov, Roman E.; Kuchurov, Ilya V.; Zlotin, Sergei G. A carbon dioxide-promoted three-component Strecker reaction Green Chemistry, 2021, 23, 10137-10144 |
| 7243992 | CIF | C5 H15 Cl2 N O2 | P 21 21 21 | 7.5628; 9.9033; 25.3929 90; 90; 90 | 1901.84 | Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V. Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules CrystEngComm, 2022, 24, 38-42 |
| 7244054 | CIF | C30 H40 N3 O4 P | P 21 21 21 | 5.46724; 21.5006; 23.19943 90; 90; 90 | 2727.07 | Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry RSC Advances, 2021, 11, 39790-39796 |
| 7244092 | CIF | C14 H11 N O3 | P 21 21 21 | 8.9979; 9.4469; 14.0932 90; 90; 90 | 1198 | Wang, Kai-Kai; Li, Yan-Li; Zhao, Ying-Chao; Zhang, Shan-Shan; Chen, Rongxiang; Sun, Aili Facile synthesis of O-acylhydroxamates via reaction of oxime chlorides with carboxylic acids RSC Advances, 2021, 11, 40193-40196 |
| 7244160 | CIF | C15 H12 Br N3 O2 S | P 21 21 21 | 4.8673; 11.348; 27.751 90; 90; 90 | 1532.8 | Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles Green Chemistry, 2022, 24, 911-915 |
| 7244161 | CIF | C11 H14 N4 O3 S | P 21 21 21 | 5.3437; 14.4207; 16.6141 90; 90; 90 | 1280.3 | Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles Green Chemistry, 2022, 24, 911-915 |
| 7244203 | CIF | C12 H28 F6 N5 Ni O2 P | P 21 21 21 | 9.8206; 13.9643; 13.9819 90; 90; 90 | 1917.4 | Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236 |
| 7244205 | CIF | C10 H25 Cl4 Co2 N5 | P 21 21 21 | 8.652; 11.9224; 18.0909 90; 90; 90 | 1866.1 | Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm, 2022, 24, 1218-1236 |
| 7244218 | CIF | C17 H13 Cl2 Cu N7 | P 21 21 21 | 7.09; 15.0538; 16.4613 90; 90; 90 | 1756.9 | Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions CrystEngComm, 2022, 24, 1598-1611 |
| 7244219 | CIF | C17 H13 Cl Cu N8 O3 | P 21 21 21 | 6.9172; 15.1342; 17.174 90; 90; 90 | 1797.9 | Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions CrystEngComm, 2022, 24, 1598-1611 |
| 7244222 | CIF | C30 H33 Cl6 N Ni P2 | P 21 21 21 | 10.6796; 14.9649; 20.9874 90; 90; 90 | 3354.19 | Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes RSC Advances, 2022, 12, 2227-2236 |
| 7244322 | CIF | C110 H122 Cl N52 O51 S2 U3 | P 21 21 21 | 23.1168; 24.6194; 24.9596 90; 90; 90 | 14205.1 | Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane CrystEngComm, 2022, 24, 1955-1965 |
| 7244327 | CIF | C16 H20 Br N O4 | P 21 21 21 | 7.7807; 13.9973; 15.18 90; 90; 90 | 1653.24 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244328 | CIF | C17 H21 N O3 S | P 21 21 21 | 5.467; 27.8275; 32.842 90; 90; 90 | 4996.4 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244330 | CIF | C16 H19 N O3 S | P 21 21 21 | 5.4649; 10.7205; 26.0834 90; 90; 90 | 1528.13 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244332 | CIF | C7 H16 Cl N O4 | P 21 21 21 | 8.2312; 9.114; 13.9693 90; 90; 90 | 1047.97 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244333 | CIF | C14 H21 N O2 | P 21 21 21 | 7.0341; 14.022; 14.321 90; 90; 90 | 1412.5 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244334 | CIF | C14 H15 N O3 | P 21 21 21 | 7.481; 10.464; 15.998 90; 90; 90 | 1252.34 | Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L. Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives RSC Advances, 2022, 12, 4187-4190 |
| 7244372 | CIF | C29 H26 B N2 O3.5 | P 21 21 21 | 7.7796; 13.1314; 24.231 90; 90; 90 | 2475.4 | Zhang, Xuebo; Xu, Jing; Sun, Zhaofeng; Bian, Guangling; Song, Ling NMR analysis of the enantiomeric purity of chiral diols by a new chiral boron agent RSC Advances, 2022, 12, 4692-4696 |
| 7244418 | CIF | C20 H10 Br2 N2 | P 21 21 21 | 4.2682; 18.1897; 19.6942 90; 90; 90 | 1529 | Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives CrystEngComm, 2022 |
| 7244478 | CIF | C18 H14 Cu2 F2 N2 O7 | P 21 21 21 | 6.6777; 8.5198; 33.3475 90; 90; 90 | 1897.23 | Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui Structural transformation of copper coordination complexes accompanied with chiral transformation CrystEngComm, 2022 |
| 7244483 | CIF | C30 H31 N O3 | P 21 21 21 | 8.224; 14.043; 21.164 90; 90; 90 | 2444 | He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations Green Chemistry, 2022, 24, 2483-2491 |
| 7244501 | CIF | C28 H31 F O2 | P 21 21 21 | 8.1444; 14.7371; 18.1313 90; 90; 90 | 2176.21 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244502 | CIF | C28 H33 Br O2 | P 21 21 21 | 9.6737; 13.7426; 17.4902 90; 90; 90 | 2325.18 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244503 | CIF | C28 H32 Br Cl O2 | P 21 21 21 | 7.4163; 24.3559; 26.0244 90; 90; 90 | 4700.8 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244504 | CIF | C28 H32 Cl F O2 | P 21 21 21 | 9.6037; 14.6224; 16.3071 90; 90; 90 | 2289.99 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244505 | CIF | C28 H32 Cl F O2 | P 21 21 21 | 7.3425; 19.7162; 31.4052 90; 90; 90 | 4546.4 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244506 | CIF | C28 H32 Cl2 O2 | P 21 21 21 | 7.5823; 12.3043; 24.7321 90; 90; 90 | 2307.38 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244508 | CIF | C28 H33 Cl O2 | P 21 21 21 | 9.5984; 13.7895; 17.3969 90; 90; 90 | 2302.6 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244509 | CIF | C28 H32 Br Cl O2 | P 21 21 21 | 7.5079; 10.4189; 30.1049 90; 90; 90 | 2354.93 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244510 | CIF | C28 H31 F O2 | P 21 21 21 | 8.2415; 14.6409; 17.9646 90; 90; 90 | 2167.66 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244511 | CIF | C28 H32 Cl F O2 | P 21 21 21 | 8.1994; 9.5995; 29.1554 90; 90; 90 | 2294.83 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244512 | CIF | C28 H33 Cl O2 | P 21 21 21 | 7.357; 15.9989; 19.5774 90; 90; 90 | 2304.34 | Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E. Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer CrystEngComm, 2022, 24, 2089-2099 |
| 7244518 | CIF | C23 H15 N3 O5 | P 21 21 21 | 7.6442; 8.6092; 27.0462 90; 90; 90 | 1779.92 | Fedyanin, Ivan V. Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding CrystEngComm, 2022 |
| 7244520 | CIF | C22 H31 F N3 O10 P | P 21 21 21 | 9.18755; 13.99638; 20.528931 90; 90; 90 | 2639.86 | Chatziadi, Argyro; Skořepová, Eliška; Kohout, Martin; Ridvan, Luděk; Šoóš, Miroslav Exploring the polymorphism of sofosbuvir via mechanochemistry: effect of milling jar geometry and material CrystEngComm, 2022 |
| 7244583 | CIF | C33 H19 N7 O8 Zn2 | P 21 21 21 | 7.6389; 17.543; 23.531 90; 90; 90 | 3153.4 | Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions RSC Advances, 2022, 12, 7780-7788 |
| 7244600 | CIF | C18 H15 Bi Cl2 | P 21 21 21 | 9.1006; 17.0456; 22.1478 90; 90; 90 | 3435.68 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244612 | CIF | C6 H11 Br O5 | P 21 21 21 | 6.8069; 6.8839; 17.1166 90; 90; 90 | 802.05 | Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution RSC Advances, 2022, 12, 8345-8360 |
| 7244632 | CIF | C27 H66 Cu Mo24 N12 O90 P2 | P 21 21 21 | 14.7092; 22.2121; 30.2861 90; 90; 90 | 9895.1 | Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties CrystEngComm, 2022 |
| 7244718 | CIF | C9 H5 N7 O10 | P 21 21 21 | 6.4839; 10.5895; 20.8436 90; 90; 90 | 1431.15 | Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers CrystEngComm, 2022 |
| 7244719 | CIF | C9 H6 N8 O10 | P 21 21 21 | 6.7852; 11.054; 20.043 90; 90; 90 | 1503.3 | Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers CrystEngComm, 2022 |
| 7244725 | CIF | C44 H40 Cd3 N4 O16 | P 21 21 21 | 11.5289; 15.1039; 26.5225 90; 90; 90 | 4618.4 | Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation CrystEngComm, 2022 |
| 7244726 | CIF | C43 H40 Cd3 N4 O16 | P 21 21 21 | 11.5288; 15.0909; 26.5164 90; 90; 90 | 4613.32 | Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation CrystEngComm, 2022 |
| 7244727 | CIF | C44 H37 N4 O16 Zn3 | P 21 21 21 | 11.1809; 15.0036; 25.5061 90; 90; 90 | 4278.74 | Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation CrystEngComm, 2022 |
| 7244728 | CIF | C44 H40 N4 O16 Zn3 | P 21 21 21 | 11.1793; 15.0014; 25.5008 90; 90; 90 | 4276.62 | Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation CrystEngComm, 2022 |
| 7244737 | CIF | C27 H38 Co P Si | P 21 21 21 | 9.996; 14.546; 17.271 90; 90; 90 | 2511.2 | Ueda, Masafumi; Mazaki, Yasuhiro Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene RSC Advances, 2022, 12, 10870-10874 |
| 7244744 | CIF | C23 H40 P2 | P 21 21 21 | 11.8649; 12.6361; 15.6655 90; 90; 90 | 2348.67 | Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi RSC Advances, 2022, 12, 10989-10996 |
| 7244748 | CIF | C37 H58 Cl8 N16 O12 | P 21 21 21 | 7.1291; 13.5358; 27.2056 90; 90; 90 | 2625.29 | Barbas, Rafael; Font-Bardia, Mercè; de Sande, Dafne; Frontera, Antonio; Prohens, Rafel Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate CrystEngComm, 2022 |
| 7244762 | CIF | C20 H32 O5 | P 21 21 21 | 7.4299; 10.3592; 23.4977 90; 90; 90 | 1808.57 | Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity RSC Advances, 2022, 12, 11155-11163 |
| 7244764 | CIF | C20 H34 O7 | P 21 21 21 | 7.43; 12.1373; 21.6486 90; 90; 90 | 1952.27 | Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity RSC Advances, 2022, 12, 11155-11163 |
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