Crystallography Open Database
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Searching year of publication is 2021
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1557244 | CIF | C90 H126 Mn3 N12 O27 | P 1 21/m 1 | 12.323; 32.145; 12.931 90; 93.58; 90 | 5112 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557245 | CIF | C84 H84 Cl18 Mn3 N12 O12 | P 1 21/m 1 | 12.313; 31.877; 12.954 90; 92.93; 90 | 5078 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557246 | CIF | C105 H103.5 Mn3 N12 O12 | P -1 | 12.276; 12.869; 31.586 93.98; 97.43; 92.02 | 4931 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557247 | CIF | C111 H138 Mn3 N12 O21 | P -1 | 12.457; 13.242; 33.037 86.69; 86.08; 85.22 | 5411 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557248 | CIF | C97 H126 Mn3 N12 O18 | P -1 | 12.364; 12.947; 30.366 99.4; 97.35; 91.57 | 4750.4 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557249 | CIF | C93 H120 Mn3 N12 O21 | P 1 21/m 1 | 12.274; 32.826; 12.93 90; 95.51; 90 | 5186 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557250 | CIF | C97.5 H111 Mn3 N12 O19.5 | P 1 21/m 1 | 12.307; 31.637; 13.006 90; 92.1; 90 | 5061 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557251 | CIF | C111 H106 Cl2 Mn3 N12 O16 Rh2 | P 1 21/c 1 | 12.339; 33.798; 25.762 90; 96.1; 90 | 10683 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
1557599 | CIF | C9 H10 N4 O3 Zn2 | P b a 2 | 10.51; 12.234; 4.666 90; 90; 90 | 599.95 | Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? Faraday discussions, 2021, 225, 118-132 |
1557771 | CIF | C94 H100 Cl12 N12 O3 Pd6 | P 1 21 1 | 14.2257; 50.2552; 19.5481 90; 91.9145; 90 | 13967.4 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
1557772 | CIF | C95.93 H98.19 Cl12 N15 O2.74 Pd6 | P 1 21/c 1 | 19.5269; 51.758; 14.2813 90; 91.0232; 90 | 14431 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
1557773 | CIF | C86.9 H86.8 Cl12 N12 O10.13 Pd6 | P 1 21 1 | 14.1814; 52.5455; 19.8435 90; 91.1321; 90 | 14783.9 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
1557774 | CIF | C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 | P 1 21 1 | 14.338; 52.953; 19.7623 90; 90.789; 90 | 15002.9 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
1557791 | CIF | C20 H16 Cl2 N4 O Pt | P 1 21/c 1 | 5.3046; 21.6781; 15.9776 90; 94.542; 90 | 1831.55 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
1557792 | CIF | C21 H18 Cl2 N4 O Pt | P -1 | 8.0185; 10.5928; 13.0124 69.402; 86.254; 72.413 | 985.2 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
1557793 | CIF | C40 H34 Cl6.5 N8 O6 Pt2 | P -1 | 13.5911; 14.4864; 14.6981 99.605; 101.408; 117.546 | 2401.45 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
1558875 | CIF | C44.2 H35.32 N2.6 O16.6 Zn3 | C 1 2/c 1 | 32.7998; 9.7204; 18.3042 90; 96.453; 90 | 5798.9 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1558876 | CIF | C49.2 H46.78 N3.4 O18.7 Zn3 | C 1 2/c 1 | 32.6406; 9.63384; 18.4404 90; 102.534; 90 | 5660.47 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1558877 | CIF | C212 H260 N20 O76 Zn8 | P c a 21 | 36.4926; 14.6058; 45.4204 90; 90; 90 | 24209.2 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1558878 | CIF | C36 H34 N4 O14 Zn2 | P 1 21/n 1 | 9.6981; 16.1078; 11.5458 90; 90.923; 90 | 1803.39 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1559556 | CIF | C68 H156 O28 Si14 Zr2 | P -1 | 13.346; 17.309; 23.753 86.026; 89.28; 76.624 | 5325.4 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
1559557 | CIF | C96 H184 O28 Si14 Zr2 | P b c a | 20.0054; 24.0516; 27.5739 90; 90; 90 | 13267.5 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
1559558 | CIF | C68 H156 Hf2 O28 Si14 | P b c a | 18.563; 22.017; 26.445 90; 90; 90 | 10808 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
1559559 | CIF | C96 H184 Hf2 O28 Si14 | P b c a | 20.061; 24.064; 27.568 90; 90; 90 | 13308 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
1559560 | CIF | C86 H109 N9 Na2 O11 V2 | P -1 | 13.4214; 14.2596; 25.2549 85.709; 78.946; 69.251 | 4435.9 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559561 | CIF | C104 H120 N8 O8 V2 | P -1 | 12.0966; 12.3373; 17.8971 90.8728; 107.997; 99.2458 | 2501.28 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559562 | CIF | C80 H90 Cl2 N2 O8 V2 | P 1 21/n 1 | 19.7039; 20.0862; 20.6921 90; 113.114; 90 | 7532 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559563 | CIF | C178 H213 N11 O20 V4 | P -1 | 14.0354; 17.3396; 20.1906 71.168; 84.459; 66.456 | 4260.59 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559564 | CIF | C86 H114 N6 O16 V4 | P -1 | 12.4983; 13.6976; 14.1554 68.166; 79.128; 75.546 | 2165.92 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559565 | CIF | C82 H90 F6 N2 O8 V2 | P 1 21/c 1 | 20.0005; 19.9315; 22.023 90; 116.08; 90 | 7885.4 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559566 | CIF | C355 H421 Cl2 N21 O32 V8 | P -1 | 19.7899; 20.6775; 22.7696 69.271; 76.567; 78.627 | 8407.9 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
1559567 | CIF | C49 H38 Cl2 Co F5 N3 | P -1 | 11.8773; 12.8721; 14.5308 97.115; 92.063; 98.641 | 2176.04 | Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670 |
1559568 | CIF | C260 H220 Cl10 Co5 F25 N15 | P -1 | 20.2887; 22.5854; 30.0093 94.052; 105.348; 102.898 | 12802.4 | Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670 |
1559569 | CIF | C75 H60 B Cl2 F24 N3 Pd | P -1 | 12.4888; 16.9952; 19.3546 69.171; 75.05; 81.715 | 3703.33 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559570 | CIF | C41 H45 Br2 Cl N2 Pd | P 1 21/n 1 | 12.8172; 18.0795; 16.7528 90; 96.977; 90 | 3853.36 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559571 | CIF | C44 H53 Cl3 N2 O2 Pd | P 1 21/n 1 | 11.7251; 18.4561; 19.821 90; 101.805; 90 | 4198.5 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559572 | CIF | C41 H45 Cl3 N2 Pd | P -1 | 11.0716; 16.373; 21.6279 89.42; 76.403; 88.652 | 3809.6 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559573 | CIF | C78 H67 B F24 I2 N3 Pd | P -1 | 13.006; 16.863; 19.2164 98.154; 96.07; 99.498 | 4078.6 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559574 | CIF | C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd | P -1 | 14.4315; 16.2211; 18.6665 109.704; 107.844; 95.369 | 3820.3 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559575 | CIF | C41 H45 Cl I2 N2 Pd | P 1 21/c 1 | 10.0308; 19.7307; 20.2309 90; 101.055; 90 | 3929.69 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
1559614 | CIF | C67.55 H47.1 Cl3.09 N6 S4 | P -1 | 13.8855; 17.9904; 19.186 77.172; 78.221; 69.1 | 4324.4 | Rotter, Julian M.; Guntermann, Roman; Auth, Michael; Mähringer, Andre; Sperlich, Andreas; Dyakonov, Vladimir; Medina, Dana D.; Bein, Thomas Highly conducting Wurster-type twisted covalent organic frameworks Chemical Science, 2021 |
1559658 | CIF | C41 H28 N4 | P 1 21 1 | 17.049; 14.1638; 25.7784 90; 103.896; 90 | 6042.76 | Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence Materials Horizons, 2021, 8, 547-555 |
1559676 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.7702; 13.7702; 13.2048 90; 90; 120 | 2168.42 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559677 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9775; 13.9775; 13.0994 90; 90; 120 | 2216.4 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559678 | CIF | C20 H22 Cd N4 O12 | P 32 2 1 | 14.8922; 14.8922; 12.7663 90; 90; 120 | 2452 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559679 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.9689; 14.9689; 12.6934 90; 90; 120 | 2463.14 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559680 | CIF | C20 H22 Cd N4 O12 | P 32 2 1 | 15.0465; 15.0465; 12.6619 90; 90; 120 | 2482.56 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559681 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.0982; 14.0982; 13.0538 90; 90; 120 | 2247 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559682 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.6191; 13.6191; 13.2288 90; 90; 120 | 2124.9 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559683 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.366; 14.366; 12.8607 90; 90; 120 | 2298.6 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559684 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.218; 14.218; 13.0014 90; 90; 120 | 2276.1 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559685 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.515; 14.515; 12.8247 90; 90; 120 | 2340 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559686 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9484; 13.9484; 13.1157 90; 90; 120 | 2209.89 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559687 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.8744; 14.8744; 12.7248 90; 90; 120 | 2438.2 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559688 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.921; 14.921; 12.7118 90; 90; 120 | 2450.94 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
1559737 | CIF | C20 H60 Fe4 N8 O30 S6 | P 1 21/c 1 | 11.767; 18.7367; 12.0965 90; 117.762; 90 | 2359.98 | Hu, Lei; Wang, Qiushi; Zhu, Xiandong; Meng, Tao; Huang, Binbin; Yang, Jindong; Lin, Xiaoming; Tong, Yexiang Novel Fe<sub>4</sub>-based metal-organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage. Nanoscale, 2021, 13, 716-723 |
1559739 | CIF | C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 | P c a 21 | 18.079; 30.1771; 14.9963 90; 90; 90 | 8181.6 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
1559740 | CIF | C38 H40 F12 N2 O4 P2 | P n n a | 15.95929; 28.8471; 8.98775 90; 90; 90 | 4137.77 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
1559741 | CIF | C38 H32 F12 N2 P2 | C 1 2/c 1 | 37.188; 9.2614; 10.1379 90; 94.648; 90 | 3480.1 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
1559799 | CIF | C36 H50 Ca N6 O P Si2 | P -1 | 9.9377; 13.2229; 17.1785 71.337; 73.927; 77.882 | 2036.7 | Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525 |
1559800 | CIF | C47 H55 Ca N6 O3 P Si2 | P -1 | 11.2638; 12.9788; 17.8234 93.419; 100.831; 95.152 | 2541 | Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525 |
1559801 | CIF | Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 | C 1 2/m 1 | 9.54396; 18.2455; 5.3266 90; 101.883; 90 | 907.67 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
1559802 | CIF | Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 | C 1 2/m 1 | 9.5343; 18.221; 5.3202 90; 101.846; 90 | 904.57 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
1559807 | CIF | As3 Fe H16 O17 | P 1 21/n 1 | 15.4357; 20.01; 4.7994 90; 91.728; 90 | 1481.71 | Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ, 2021, 8, 116-123 |
1559811 | CIF | C17 H19 F6 N2 O P | P 1 21/c 1 | 25.6008; 7.0486; 21.7397 90; 114.951; 90 | 3556.8 | Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A. Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8] Polymer Chemistry, 2021, 12, 519-525 |
1559833 | CIF | B4 K3 O12 Tm3 | P 1 21/c 1 | 10.49; 17.3785; 13.7941 90; 110.495; 90 | 2355.5 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
1559834 | CIF | B4 Er3 K3 O12 | P 1 21/c 1 | 10.5189; 17.4322; 13.8305 90; 110.521; 90 | 2375.14 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
1559835 | CIF | B4 K3 O12 Pr3 | P -1 | 10.8167; 9.0776; 14.1014 90.051; 110.257; 89.901 | 1299 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
1559863 | CIF | C32 H30 N2 S4 Si2 | P -1 | 10.1836; 16.2598; 23.1451 86.414; 81.109; 77.472 | 3694.6 | Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345 |
1559864 | CIF | C32 H30 N2 S4 Si2 | R -3 :H | 38.5368; 38.5368; 13.3783 90; 90; 120 | 17206.1 | Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345 |
1559888 | CIF | C7 H4 D6 O6 | P n a 21 | 12.1157; 6.1134; 9.97 90; 90; 90 | 738.46 | Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557 |
1559889 | CIF | C14 H18 O8 | P 1 21 1 | 10.4164; 6.6513; 11.2592 90; 96.9535; 90 | 774.33 | Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557 |
1559893 | CIF | C12 H14 Br2 O | P 1 21/c 1 | 15.797; 10.6695; 7.533 90; 91.679; 90 | 1269.11 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
1559894 | CIF | C18 H22 N6 O | P 1 21/c 1 | 14.654; 7.0476; 17.0806 90; 91.653; 90 | 1763.3 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
1559895 | CIF | C23 H32 N6 O | P 1 21/n 1 | 5.4266; 52.494; 8.032 90; 107.835; 90 | 2178.1 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
1559907 | CIF | C12 H22 B Fe N | P 1 21/c 1 | 12.5601; 7.39591; 14.8102 90; 98.207; 90 | 1361.68 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
1559908 | CIF | C68 H60 B2 F24 Fe N O2 P | P -1 | 12.9415; 14.6375; 19.3031 103.817; 92.601; 92.604 | 3541.17 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
1559909 | CIF | C81 H67 B2 F24 Fe N P2 | P 1 21/c 1 | 13.1206; 16.6063; 36.1078 90; 93.609; 90 | 7851.73 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
1559910 | CIF | C28 H31 B Fe N P | P 1 21/c 1 | 15.3228; 26.7339; 35.8973 90; 99.93; 90 | 14484.6 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
1559911 | CIF | C28 H33 B Fe N P | P 1 21/n 1 | 10.668; 10.792; 21.922 90; 92.119; 90 | 2522.1 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
1559914 | CIF | C6 H18 Cl4 N2 Pd | P -1 | 7.2281; 8.1281; 11.7212 70.892; 87.545; 89.101 | 650.09 | Zierkiewicz, Wiktor; Michalczyk, Mariusz; Maris, Thierry; Wysokinski, Rafal; Scheiner, Steve Experimental and Theoretical Evidence of Attractive Interactions between Dianions: [PdCl4]2-...[PdCl4]2- Chemical Communications, 2021 |
1559931 | CIF | O384 Si192 Zn35.75 | F d -3 m :2 | 24.7443; 24.7443; 24.7443 90; 90; 90 | 15150.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559932 | CIF | O394.64 Si192 Zn38.54 | F d -3 m :2 | 24.7012; 24.7012; 24.7012 90; 90; 90 | 15071.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559933 | CIF | O384 Si192 Zn37.08 | F d -3 m :2 | 24.7342; 24.7342; 24.7342 90; 90; 90 | 15131.9 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559934 | CIF | O384 Si192 Zn36.44 | F d -3 m :2 | 24.7409; 24.7409; 24.7409 90; 90; 90 | 15144.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559935 | CIF | O384 Si192 Zn37 | F d -3 m :2 | 24.7367; 24.7367; 24.7367 90; 90; 90 | 15136.5 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559936 | CIF | O384 Si192 Zn35.93 | F d -3 m :2 | 24.7334; 24.7334; 24.7334 90; 90; 90 | 15130.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559937 | CIF | O393.88 Si192 Zn37.67 | F d -3 m :2 | 24.706; 24.706; 24.706 90; 90; 90 | 15080.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559938 | CIF | O384 Si192 Zn35.51 | F d -3 m :2 | 24.7496; 24.7496; 24.7496 90; 90; 90 | 15160.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559939 | CIF | O389.23 Si192 Zn36.1 | F d -3 m :2 | 24.731; 24.731; 24.731 90; 90; 90 | 15126 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559940 | CIF | O389.95 Si192 Zn35.28 | F d -3 m :2 | 24.7323; 24.7323; 24.7323 90; 90; 90 | 15128.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559941 | CIF | O384 Si192 Zn36.19 | F d -3 m :2 | 24.7508; 24.7508; 24.7508 90; 90; 90 | 15162.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559942 | CIF | O393.73 Si192 Zn37.59 | F d -3 m :2 | 24.7029; 24.7029; 24.7029 90; 90; 90 | 15074.5 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559943 | CIF | O384 Si192 Zn35.75 | F d -3 m :2 | 24.7557; 24.7557; 24.7557 90; 90; 90 | 15171.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559944 | CIF | O384 Si192 Zn36.82 | F d -3 m :2 | 24.743; 24.743; 24.743 90; 90; 90 | 15148.1 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559945 | CIF | O389.83 Si192 Zn35.41 | F d -3 m :2 | 24.7327; 24.7327; 24.7327 90; 90; 90 | 15129.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
1559946 | CIF | C30 H14 Cd N4 O8 S | P b a m | 12.8322; 19.9878; 20.044 90; 90; 90 | 5141.03 | Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614 |
1559947 | CIF | C30 H14 Cd N4 O8 S | P b a m | 12.9936; 19.8725; 20.0366 90; 90; 90 | 5173.76 | Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614 |
1559948 | CIF | C10 H34 I12 N4 Pb3 | C 1 2/m 1 | 8.909; 9.012; 27.896 90; 92.832; 90 | 2237 | Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054 |
1559949 | CIF | C10 H34 I12 N4 Pb3 | P 1 c 1 | 27.3848; 9.0015; 8.8216 90; 95.999; 90 | 2162.65 | Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054 |
1559953 | CIF | C15 H19 F3 N2 O5 Pt S | P 1 21/n 1 | 11.3867; 13.3132; 12.4183 90; 92.717; 90 | 1880.42 | Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A. Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation Chemical Science, 2021, 12, 2960-2969 |
1559954 | CIF | C10 H13 F2 N O4 S2 | P 1 21 1 | 6.9704; 8.0097; 11.9695 90; 100.105; 90 | 657.9 | Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela 2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases Chemical Science, 2021, 12, 2898-2908 |
1559955 | CIF | C224 H252 Au44 S28 | R -3 c :H | 45.692; 45.692; 77.435 90; 90; 120 | 140007 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
1559956 | CIF | C240 H270 Au38 Cd4 S30 | P -1 | 35.243; 36.193; 46.321 78.898; 74.68; 79.183 | 55332 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
1559957 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.7488; 7.1526; 29.1812 90; 93.7725; 90 | 3904.8 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
1559958 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.747; 7.1519; 29.1807 90; 93.7723; 90 | 3903.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
1559959 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6705; 7.123; 29.1292 90; 93.6645; 90 | 3865.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
1559960 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.5979; 7.0922; 29.0731 90; 93.5819; 90 | 3827.25 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
1559961 | CIF | C7 H4 N Na O4.875 S | C -1 | 18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763 | 3810.31 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
1559963 | CIF | Ba O3 Ti | P m -3 m | 4.03542; 4.03542; 4.03542 90; 90; 90 | 65.715 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
1559964 | CIF | Ba O3 Ti | P 4 m m | 3.99048; 3.99048; 4.02303 90; 90; 90 | 64.062 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
1559965 | CIF | O7 Ti2 Y2 | F d -3 m :2 | 10.0975; 10.0975; 10.0975 90; 90; 90 | 1029.54 | Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S. Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures Journal of the Ceramic Society of Japan, 2021, 129, 22-31 |
1559971 | CIF | C20 H30 Fe N2 O4 Si2 | P 1 21/n 1 | 8.4055; 18.3319; 15.0466 90; 92.57; 90 | 2316.2 | Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation Catalysis Science & Technology, 2021, 11, 1407-1418 |
1559978 | CIF | C30 H36 N2 S2 | P -1 | 7.0096; 11.6756; 17.1032 96.573; 98.931; 99.536 | 1349.48 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
1559979 | CIF | C30 H36 N2 O S2 | P -1 | 6.7333; 7.2344; 14.884 85.396; 80.658; 74.043 | 687.4 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
1559980 | CIF | C18 H15 N O3 | P 1 21/c 1 | 5.974; 16.697; 14.741 90; 91.617; 90 | 1469.8 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
1559981 | CIF | C18 H15 N O3 | P -1 | 8.1516; 8.1871; 11.8093 96.901; 107.557; 92.751 | 743.01 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
1559982 | CIF | C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 | P -1 | 21.3948; 27.211; 29.938 80.347; 70.094; 67.283 | 15103 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
1559983 | CIF | C298 H333 Ag22 B2 Fe3 P6 S12 | P -1 | 21.412; 27.2727; 29.7612 79.123; 70.493; 66.956 | 15040.9 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
1559992 | CIF | C29 H21 N3 O Pt | P 1 21/n 1 | 10.309; 13.9097; 15.4326 90; 101.658; 90 | 2167.31 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
1559993 | CIF | C29 H17 F4 N3 O Pd | P -1 | 11.8675; 12.4514; 17.2457 94.655; 96.279; 113.088 | 2308.6 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
1559994 | CIF | C29 H19 F2 N3 O Pt | P -1 | 9.3869; 11.7589; 11.9012 117.792; 105.826; 94.593 | 1084.42 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
1559995 | CIF | C29 H17 F4 N3 O Pt | P 1 2/c 1 | 22.8339; 9.8626; 22.7576 90; 117.704; 90 | 4537.52 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
1559996 | CIF | C29 H17 F4 N3 O Pt | P -1 | 9.6007; 11.7181; 12.0959 118.283; 95.325; 104.556 | 1123.48 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
1560013 | CIF | C26 H30 N2 O4 | P 1 21/c 1 | 5.2406; 6.5334; 31.137 90; 91.691; 90 | 1065.6 | Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran Aggregation-induced phosphorescence of an anthraquinone based emitter. Organic & biomolecular chemistry, 2021, 19, 1004-1008 |
1560014 | CIF HKL Paper | C17 H12 N2 O | P 1 21/n 1 | 7.4548; 22.976; 8.3149 90; 115.866; 90 | 1281.5 | Chen, Lin; Hu, Jin; Sun, Hong-Shun 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one IUCrData, 2021, 6, x210018 |
1560015 | CIF | C18 H24 O2 | P -1 | 8.3649; 10.0504; 10.2831 73.682; 70.348; 86.635 | 780.74 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
1560016 | CIF | C12 H21 N O2 S | P -1 | 6.3005; 10.5228; 10.9791 65.837; 82.374; 88.124 | 658.07 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
1560017 | CIF | C22 H26 O2 | P 1 21/n 1 | 10.5885; 8.3629; 20.6387 90; 99.927; 90 | 1800.21 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
1560018 | CIF | C35 H35 N2 O P | P -1 | 8.9009; 10.4501; 17.0815 104.343; 91.133; 112.507 | 1410.37 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560019 | CIF | C33 H30 N O P | P -1 | 8.2229; 12.4346; 13.1943 108.632; 96.25; 93.485 | 1264.24 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560020 | CIF | C32 H22 F3 O4 P S | P 1 21/c 1 | 7.4114; 15.707; 22.5898 90; 92.536; 90 | 2627.1 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560021 | CIF | C33 H25 F3 N O3 P S | P n a 21 | 8.0035; 27.389; 12.6664 90; 90; 90 | 2776.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560022 | CIF | C34 H29 F3 N O3 P S | P 1 21/c 1 | 8.9602; 11.4072; 28.9126 90; 93.074; 90 | 2950.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560023 | CIF | C33 H25 F3 N O3 P S | P 1 21/c 1 | 16.162; 12.9217; 14.4246 90; 107.362; 90 | 2875.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560024 | CIF | C36 H34 F3 N2 O3 P S | P 1 21/c 1 | 11.0775; 19.2817; 15.3042 90; 104; 90 | 3171.8 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560025 | CIF | C33 H29 Au B Cl F4 N P | P 1 21 1 | 8.2171; 20.0635; 9.9302 90; 111.472; 90 | 1523.51 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560026 | CIF | C36 H33 Au B2 F8 N P S | P 1 21/c 1 | 16.5012; 15.8634; 13.7254 90; 92.673; 90 | 3588.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560027 | CIF | C37 H37 Au B2 F8 N P S | P 1 21 1 | 8.2911; 15.0763; 14.2431 90; 97.96; 90 | 1763.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560028 | CIF | C39 H42 Au B2 F8 N2 P S | P 1 21/n 1 | 10.2268; 8.5127; 45.347 90; 94.336; 90 | 3936.5 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560029 | CIF | C35 H34 Au B Cl F4 N2 P | P 1 21/c 1 | 20.6017; 8.5026; 20.569 90; 118.012; 90 | 3180.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560030 | CIF | C36 H32 Au B2 Cl2 F8 O P S | P -1 | 8.0106; 12.2124; 19.0728 99.359; 93.578; 101.894 | 1792.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
1560031 | CIF | C52 H96 O Si8 U2 | P 21 21 21 | 10.5444; 18.4631; 31.5083 90; 90; 90 | 6134.1 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560032 | CIF | C26 H50 O Si4 U | P 1 21/n 1 | 17.5935; 9.977; 18.6747 90; 110.001; 90 | 3080.27 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560033 | CIF | C58.34 H113.47 O Si9 U2 | P -4 | 20.3708; 20.3708; 16.6734 90; 90; 90 | 6918.95 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560034 | CIF | C84 H168 Si12 U2 | P 1 21/c 1 | 26.7057; 15.99077; 26.5612 90; 117.35; 90 | 10074.9 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560035 | CIF | C24 H44 Si4 U | I 41/a :2 | 31.8409; 31.8409; 11.0234 90; 90; 90 | 11176 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560036 | CIF | C28 H52 O Si4 U | P 21 21 21 | 11.40224; 16.98119; 17.03377 90; 90; 90 | 3298.14 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
1560037 | CIF | C34 H48 N4 P2 | P -1 | 7.5552; 9.5169; 11.8279 76.651; 84.11; 72.543 | 788.85 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
1560038 | CIF | C48 H58 N4 Si2 | C 1 2/c 1 | 25.072; 9.1667; 19.7603 90; 99.889; 90 | 4474 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
1560039 | CIF | C34 H48 N4 Ni P2 | P -1 | 10.1955; 10.3773; 16.0898 76.412; 80.446; 88.451 | 1631.6 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
1560040 | CIF | C55 H66 N4 Ni Si2 | P 1 21/m 1 | 9.1662; 26.4418; 9.8935 90; 90.567; 90 | 2397.8 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
1560041 | CIF Paper | C20 H22 N4 O8 | P 1 | 7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314 | 1051.59 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560042 | CIF | C18 H23 N4 O4 | P -1 | 7.658; 9.277; 15.152 79.304; 82.008; 65.214 | 958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560043 | CIF | C32 H23 N3 O3.99 | P -1 | 9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795 | 2488.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560044 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 8.7482; 14.926; 10.2464 90; 110.165; 90 | 1255.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560045 | CIF | C19 H15 N3 O4 | P -1 | 7.7638; 8.5897; 12.723 105.585; 102.978; 95.062 | 786.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560046 | CIF | C26 H21 N5 O4 | P -1 | 7.3217; 11.6513; 13.9987 105.915; 102.665; 91.242 | 1116.2 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560047 | CIF | C42 H34 N8 O8 | P -1 | 7.4323; 9.1138; 14.562 106.397; 103.133; 90.486 | 918.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560048 | CIF | C18 H17 N3 O4 | P 1 21/c 1 | 17.802; 7.5355; 12.5671 90; 91.187; 90 | 1685.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560049 | CIF | C18 H15 N3 O4 | P 1 21/c 1 | 17.9122; 7.4259; 12.1765 90; 92.337; 90 | 1618.3 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560050 | CIF | C16 H13 N5 O4 | P 1 21/c 1 | 18.213; 7.2967; 11.94 90; 92.967; 90 | 1584.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560051 | CIF | C20 H25 N5 O4 | P -1 | 7.7563; 8.1082; 16.24 97.387; 95.164; 95.007 | 1003.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560052 | CIF | C13 H15 N3 O4 | P 1 21/n 1 | 10.1301; 12.6967; 10.3338 90; 99.17; 90 | 1312.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560053 | CIF | C29 H26 N3 O4 | P 1 21 1 | 7.7925; 12.885; 12.398 90; 104.054; 90 | 1207.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560054 | CIF | C58 H50 N6 O8 | P -1 | 13.337; 13.504; 16.069 75.831; 66.422; 67.934 | 2442.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560055 | CIF | C40 H46 N8 O8 | P -1 | 7.5319; 8.6425; 15.3925 78.729; 75.782; 89.099 | 951.99 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560056 | CIF | C38 H42 N8 O8 | P -1 | 7.4104; 8.8964; 15.7722 95.531; 101.446; 111.676 | 930.47 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560057 | CIF | C22 H23 N3 O4 S2 | P -1 | 7.6512; 8.9495; 18.121 87.883; 78.725; 65.728 | 1108 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560058 | CIF | C62 H50 N6 O8 | P -1 | 7.684; 9.266; 18.043 96.343; 94.419; 107.054 | 1212.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560059 | CIF | C50 H52 N8 O8 | P -1 | 7.7634; 8.9486; 16.368 83.021; 82.842; 88.111 | 1119.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560060 | CIF | C42 H42 N8 O8 | P -1 | 7.5543; 8.914; 14.713 85.797; 88.497; 89.487 | 987.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560061 | CIF | C42 H40 N8 O8 | P -1 | 7.504; 9.428; 14.102 94.052; 91.192; 90.498 | 994.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560062 | CIF | C40 H40 N6 O8 S2 | P -1 | 7.489; 9.107; 14.187 97.784; 93.611; 90.872 | 956.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560063 | CIF | C40 H38 N6 O8 S2 | P -1 | 7.514; 9.272; 13.852 83.832; 89.887; 88.173 | 959 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560064 | CIF | C41 H41 N7 O8 S | P -1 | 7.4741; 9.2215; 14.295 96.245; 92.609; 92.314 | 977.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560065 | CIF | C41 H39 N7 O8 S | P -1 | 7.4078; 9.3192; 13.815 94.239; 91.445; 90.299 | 950.8 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560066 | CIF | C14 H16 Cl2 N2 O2 | P 1 21/n 1 | 9.302; 9.394; 17.66 90; 104.075; 90 | 1496.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560067 | CIF | C72 H48 Cl4 N10 O4 | P -1 | 10.807; 12.145; 12.466 108.22; 104.061; 101.072 | 1442.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560068 | CIF | C12 H12 Cl2 N2 O2 | P 1 21/c 1 | 8.188; 15.73; 11.247 90; 110.491; 90 | 1357 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560069 | CIF | C44 H42 Cl4 N4 O4 | C 1 2/c 1 | 42.727; 8.899; 22.92 90; 114.062; 90 | 7958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560070 | CIF | C84 H54 Cl4 N4 O4 | C 1 2/c 1 | 33.873; 10.374; 18.332 90; 91.186; 90 | 6440 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560071 | CIF | C28 H22 Cl2 N2 O2 | P -1 | 8.8453; 10.4891; 12.694 94.129; 94.866; 98.239 | 1157.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560072 | CIF | C80 H66 Cl8 N8 O8 | P 1 21 1 | 17.219; 22.693; 18.331 90; 91.312; 90 | 7161 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
1560073 | CIF | C18 H18 O3 | P 1 21 1 | 5.656; 8.202; 16.2422 90; 92.949; 90 | 752.49 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
1560074 | CIF | C18 H18 O2 | P 21 21 21 | 6.5109; 8.5749; 26.234 90; 90; 90 | 1464.7 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
1560075 | CIF | C23 H27 Al N2 O6 | P 1 21/c 1 | 8.9958; 12.8818; 19.2304 90; 96.615; 90 | 2213.62 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
1560076 | CIF | C23 H27 Co N2 O6 | P 1 21/c 1 | 8.9996; 12.8364; 19.0472 90; 96.745; 90 | 2185.15 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
1560077 | CIF | C23 H29 Al N2 O4 | P 21 21 21 | 7.869; 15.7511; 17.6113 90; 90; 90 | 2182.84 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
1560078 | CIF | C19 H13 N O | P 21 21 21 | 17.214; 14.4042; 5.5668 90; 90; 90 | 1380.3 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
1560079 | CIF | C19 H12 F N O | P b c a | 11.8585; 10.3783; 22.8559 90; 90; 90 | 2812.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
1560080 | CIF | C19 H12 F N O | P 1 21/n 1 | 14.608; 5.4287; 18.371 90; 107.996; 90 | 1385.6 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
1560081 | CIF | C19 H12 F N O | P 1 21/c 1 | 8.9406; 22.597; 7.0302 90; 91.313; 90 | 1419.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
1560082 | CIF | C56 H63 N5 O4 | P 1 21/c 1 | 14.7734; 17.4936; 18.6427 90; 90.2338; 90 | 4817.98 | Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science, 2021, 12, 3188-3193 |
1560083 | CIF | C108 H98 Mn4 Mo9 N3 O43 P5 | P -1 | 16.1432; 18.3888; 24.571 94.772; 109.004; 106.661 | 6480.2 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
1560084 | CIF | C174 H174 Cl20 Mn6 Mo18 O74 P8 | P -1 | 17.3006; 19.39; 20.7716 95.31; 112.975; 99.33 | 6236.6 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
1560085 | CIF | C22 H33 Ir | P 1 21/n 1 | 8.01647; 16.3246; 15.049 90; 92.985; 90 | 1966.73 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
1560086 | CIF | C20 H23 Ir | C 1 c 1 | 22.2884; 22.2818; 26.1267 90; 97.5244; 90 | 12863.5 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
1560087 | CIF | C83 H116 N4 O4 Zn2 | P -1 | 9.5822; 13.6635; 15.4413 98.426; 105.508; 99.504 | 1882.26 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560088 | CIF | C30 H36 Cl2 Mg N2 O2 | P 1 21/c 1 | 9.9229; 14.2743; 20.5348 90; 95.319; 90 | 2896.08 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560089 | CIF | C84 H118 Mg2 N4 O4 | C 1 2/c 1 | 9.7766; 31.3712; 25.4191 90; 96.789; 90 | 7741.5 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560090 | CIF | C30 H36 Br2 N2 O2 Zn | P 1 21/c 1 | 10.0556; 14.2825; 20.688 90; 95.646; 90 | 2956.78 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560091 | CIF | C30 H36 Br2 Mg N2 O2 | P 1 21/c 1 | 10.0761; 14.3226; 20.665 90; 96.011; 90 | 2965.9 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560092 | CIF | C27 H36 Cl2 Mg2 N2 O2 | P -1 | 10.872; 11.0298; 13.0224 112.876; 100.644; 93.112 | 1400.2 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560093 | CIF | C30 H36 Cl2 N2 O2 Zn | P 1 21/c 1 | 9.8683; 14.2238; 20.5519 90; 94.567; 90 | 2875.6 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
1560094 | CIF | C51 H48 O6 S | P 21 21 21 | 8.0941; 17.5936; 32.602 90; 90; 90 | 4642.7 | Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release Chemical Science, 2021, 12, 3651-3659 |
1560095 | CIF | C36 H53 B N6 O3 P2 Pd W | P 1 21/c 1 | 16.8853; 15.2569; 15.7122 90; 91.701; 90 | 4046 | Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692 |
1560096 | CIF | C32 H48 O3 P2 Pd W | P 1 21/c 1 | 8.2012; 37.372; 10.9355 90; 103.388; 90 | 3260.59 | Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692 |
1560097 | CIF | C21 H30 B F2 N O5 | P 1 21/c 1 | 14.1856; 17.0247; 9.5406 90; 94.364; 90 | 2297.4 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
1560098 | CIF | C22 H34 Cl2 N2 O6 Rh2 | P 1 21/n 1 | 9.2163; 11.7129; 13.3216 90; 108.006; 90 | 1367.63 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
1560099 | CIF | C14 H19 N O | P 21 21 21 | 9.9241; 11.0168; 24.6334 90; 90; 90 | 2693.21 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
1560100 | CIF | C23 H16 O | P 1 21/n 1 | 9.3347; 10.0778; 16.957 90; 101.582; 90 | 1562.7 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
1560101 | CIF | C26 H20 O | P 1 21/c 1 | 10.294; 16.632; 11.319 90; 112.274; 90 | 1793.3 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
1560102 | CIF | C26 H21 B F4 O | P 1 21/n 1 | 7.4982; 19.0172; 14.6488 90; 99.675; 90 | 2059.13 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
1560103 | CIF | C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 | P -1 | 8.441; 8.6899; 11.8177 97.574; 92.137; 91.817 | 858.1 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560104 | CIF | C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 | P -1 | 8.4472; 8.7119; 11.9671 97.041; 90.364; 91.558 | 873.67 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560105 | CIF | C2 H6 N4 S | P -1 | 6.9352; 7.0096; 12.3675 90.894; 104.311; 101.787 | 568.89 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560106 | CIF | C7 Bi N7 Ni S6 | P 1 2/n 1 | 12.216; 36.8375; 24.5263 90; 90.224; 90 | 11036.9 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560107 | CIF | C6 H4 Bi N7 Ni S6 | P -1 | 8.4699; 8.6913; 11.9058 97.187; 91.149; 91.61 | 868.96 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560108 | CIF | C6 Bi K N6 Ni S6 | P -1 | 8.5073; 8.5686; 11.9651 97.573; 89.781; 90.997 | 864.46 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560109 | CIF | C0.92 Bi0.15 N1.25 Ni0.17 S0.86 | P n -3 :2 | 12.12528; 12.12528; 12.12528 90; 90; 90 | 1782.69 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
1560111 | CIF | C74 H86 Li4 O2 P2 Si4 | P -1 | 11.4716; 12.6646; 12.7092 85.944; 86.346; 68.446 | 1711.6 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
1560112 | CIF | C37 H32 O5 P2 Si2 W | P 1 21/c 1 | 10.6448; 12.9069; 26.22 90; 92.664; 90 | 3598.5 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
1560113 | CIF | C32 H32 P2 Si2 | P 1 21/c 1 | 12.2157; 10.4934; 22.6538 90; 99.262; 90 | 2866 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
1560114 | CIF | C53 H60 Cl2 O4 P2 Si4 | P 1 21/n 1 | 10.1186; 18.8541; 27.477 90; 91.367; 90 | 5240.5 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
1560115 | CIF | C6 H8 Mo N4 O4 | C m c 21 | 18.363; 3.83; 14.745 90; 90; 90 | 1037 | Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S. Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands Catalysis Science & Technology, 2021, 11, 2214-2228 |
1560116 | CIF | C12 H32 Cl5 N4 Ti2 | P n a 21 | 19.796; 8.413; 13.102 90; 90; 90 | 2182.1 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560117 | CIF | C14 H36 Cl10 N4 Ti2 | P 1 21/c 1 | 13.348; 13.855; 17.166 90; 112.468; 90 | 2933.6 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560118 | CIF | C10 H24 Cl3 N2 O Ti | P 1 21/n 1 | 10.972; 12.308; 12.075 90; 101.587; 90 | 1597.4 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560119 | CIF | C13 H34 Cl4 N4 Ti2 | C 1 2/c 1 | 23.348; 8.843; 12.648 90; 121.198; 90 | 2233.7 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560120 | CIF | C6 H16 Cl I N2 Zn | C 1 2/c 1 | 23.149; 7.256; 15.032 90; 111.169; 90 | 2354.5 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560121 | CIF | C13 H34 I2 N4 Zn2 | P 21 21 21 | 11.494; 13.09; 14.921 90; 90; 90 | 2245 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
1560122 | CIF | C24 H28 N2 O6 | P 1 21 1 | 18.5604; 7.5949; 8.0212 90; 96.383; 90 | 1123.69 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
1560123 | CIF | C24 H28 N2 O6 | C 1 2 1 | 17.9007; 6.3022; 20.9554 90; 105.356; 90 | 2279.66 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
1560124 | CIF | C24.63 H29.26 N2 O6.32 | C 1 2 1 | 17.8855; 6.3218; 21.0313 90; 105.346; 90 | 2293.19 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
1560125 | CIF | C24 H20 O4 | P 21 21 21 | 8.9924; 19.5139; 23.2425 90; 90; 90 | 4078.52 | Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science, 2021, 12, 3726-3732 |
1560126 | CIF | C25 H18 O2 | P 1 | 8.6935; 11.1218; 12.2142 87.376; 70.785; 81.619 | 1103.26 | Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science, 2021, 12, 3726-3732 |
1560127 | CIF | C33 H20.5 Cl0.5 O S2 | P -1 | 11.127; 15.964; 16.195 73.91; 72.41; 73.02 | 2565.8 | Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons, 2021, 8, 1207-1215 |
1560128 | CIF | C34 H18 O S4 | P -1 | 10.5404; 10.8365; 13.1815 92.262; 108.487; 97.789 | 1409.28 | Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons, 2021, 8, 1207-1215 |
1560129 | CIF | C22 H19 N O3 S Se | P 1 21 1 | 7.2473; 12.2693; 10.9251 90; 90.353; 90 | 971.43 | Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology, 2021, 11, 2299-2305 |
1560130 | CIF | C22 H19 N O3 S Se | P 1 21/n 1 | 5.8297; 16.2078; 20.9813 90; 93.402; 90 | 1979 | Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology, 2021, 11, 2299-2305 |
1560131 | CIF | C23 H20 N4 O10 | P 1 21/n 1 | 19.932; 4.461; 24.275 90; 97.73; 90 | 2138.8 | Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan Competitive cocrystallization and its application in the separation of flavonoids IUCrJ, 2021, 8, 195-207 |
1560132 | CIF | C20 H30 O3 | P 1 21 1 | 11.7561; 21.9863; 14.0957 90; 101.427; 90 | 3571.1 | Kim, Jun Gu; Lee, Jin Woo; Le, Thi Phuong Linh; Han, Jae Sang; Kwon, Haeun; Lee, Dongho; Hong, Jin Tae; Kim, Youngsoo; Lee, Mi Kyeong; Hwang, Bang Yeon Diterpenoids and Diacetylenes from the Roots of <i>Aralia cordata</i> with Inhibitory Effects on Nitric Oxide Production. Journal of natural products, 2021 |
1560135 | CIF | C167 H154 Cl3 F4 N34 O30 | P 1 21/n 1 | 22.99; 45.82; 40.8 90; 90.92; 90 | 42973 | Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan Sensing a binding event through charge transport variations using an aromatic oligoamide capsule Chemical Science, 2021, 12, 3743-3750 |
1560139 | CIF | C27 H43 N O3 | P 1 21/c 1 | 8.2116; 14.8475; 20.2921 90; 96.28; 90 | 2459.2 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560140 | CIF | C116 H190.67 K4 N4 O12 | I -4 3 d | 32.4579; 32.4579; 32.4579 90; 90; 90 | 34194.9 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560141 | CIF | C58 H94 Li2 N2 O7 | C 1 2/c 1 | 16.8366; 13.6239; 24.398 90; 91.454; 90 | 5594.6 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560142 | CIF | C144 H224 N6 Na12 O12 | P 1 21/n 1 | 16.206; 29.7416; 30.0188 90; 102.473; 90 | 14127.3 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560143 | CIF | C108 H172 N4 Na4 O12 | I -4 3 d | 32.0084; 32.0084; 32.0084 90; 90; 90 | 32793.8 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560144 | CIF | C115 H175 K10 N5 O10 | P 1 21/c 1 | 25.5103; 27.8549; 16.3237 90; 90.336; 90 | 11599.2 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560145 | CIF | C77 H121 Li6 N3 O8 | P 1 21 1 | 14.2409; 14.1749; 20.804 90; 104.449; 90 | 4066.7 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560146 | CIF | C138 H210 Li12 N6 O12 | P -1 | 15.9758; 16.9105; 29.646 84.635; 79.342; 87.435 | 7833.4 | Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550 |
1560151 | CIF | C20 H20 N O2 S2 | P 1 21/n 1 | 12.3021; 7.9076; 18.7346 90; 97.095; 90 | 1808.5 | Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement Chemical Science, 2021, 12, 4034-4040 |
1560152 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.2754; 11.2786; 19.1955 81.762; 83.501; 76.134 | 2337.6 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560153 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3327; 11.4193; 19.3877 82.951; 80.729; 77.436 | 2406.89 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560154 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.2781; 11.2893; 19.213 83.432; 81.586; 76.335 | 2343.29 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560155 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.2958; 11.3414; 19.2872 83.238; 81.374; 76.703 | 2368.53 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560156 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3259; 11.3917; 19.3628 83.024; 80.932; 77.121 | 2395.24 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560157 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.2236; 25.2061; 13.5364 90; 110.914; 90 | 3258.5 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560158 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.2753; 25.224; 13.5486 90; 111.171; 90 | 3274.6 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560159 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.3328; 25.4063; 13.6255 90; 111.122; 90 | 3336.6 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560160 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.361; 25.435; 13.645 90; 111.064; 90 | 3356 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560161 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.28; 25.269; 13.5675 90; 111.092; 90 | 3288.2 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560162 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.2892; 11.3208; 19.2519 83.33; 81.46; 76.478 | 2357.22 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560163 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3088; 11.3689; 19.3307 83.1; 81.166; 76.913 | 2382.63 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560164 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.844; 11.6767; 16.7383 94.74; 95.623; 104.722 | 1840.28 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560165 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3611; 11.5447; 19.4228 82.91; 80.543; 77.861 | 2446.24 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560166 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.8233; 11.6256; 16.7174 94.917; 95.464; 104.784 | 1825.52 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560167 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3456; 11.4668; 19.414 82.907; 80.58; 77.69 | 2424.07 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560168 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.7522; 11.4459; 16.6761 95.5; 95.052; 104.805 | 1779.06 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560169 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.3108; 25.3315; 13.5949 90; 111.123; 90 | 3312.2 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560170 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.7269; 11.4193; 16.6601 95.565; 95.014; 104.744 | 1769.03 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560171 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.3821; 25.543; 13.668 90; 111.172; 90 | 3380 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560172 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.8091; 11.5747; 16.7136 95.109; 95.249; 104.806 | 1814.42 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560173 | CIF | C32 H40 F6 Fe N O6 P | P 1 21/n 1 | 10.354; 25.443; 13.638 90; 111.061; 90 | 3352.7 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560174 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.8649; 11.7188; 16.7606 94.613; 95.802; 104.684 | 1853.36 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560175 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.691; 11.3787; 16.6251 95.673; 94.963; 104.636 | 1753.22 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560176 | CIF | C47 H62 F6 Fe N O10 P | P -1 | 11.3733; 11.6068; 19.427 83.003; 80.579; 77.986 | 2464.26 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560177 | CIF | C33 H42 Cl2 F6 Fe N O6 P | P -1 | 9.7922; 11.5185; 16.7041 95.266; 95.19; 104.874 | 1800.49 | Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875 |
1560186 | CIF | C8 H8 N2 O2 | P -1 | 6.931; 7.59; 7.735 60.94; 82.44; 75.12 | 343.75 | Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327 |
1560187 | CIF | C8 H8 N2 O2 | P -1 | 7.0348; 7.8512; 7.8827 61.268; 74.309; 82.32 | 367.54 | Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327 |
1560188 | CIF | C8 H8 N2 O2 | P -1 | 5.5557; 7.8957; 9.0549 71.386; 83.555; 74.217 | 362.09 | Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327 |
1560197 | CIF | C33 H17 N | P 1 21/c 1 | 9.5983; 7.4141; 28.155 90; 97.017; 90 | 1988.6 | Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C. Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes Chemical Science, 2021, 12, 3977-3983 |
1560198 | CIF | As B F H4 N O4 | C 1 c 1 | 4.4453; 8.1098; 12.7463 90; 90; 90 | 459.51 | Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units Chemical Science, 2021, 12, 4014-4020 |
1560199 | CIF | C65 H65 Cu F3 N4 O4 P3 S | P -1 | 10.6937; 10.7364; 25.1952 88.365; 83.658; 83.887 | 2858.25 | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404 |
1560200 | CIF | C43 H49 B Cl Cu F20 N4 O P3 | P 1 21/c 1 | 16.4423; 20.739; 15.7833 90; 104.388; 90 | 5213.2 | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404 |
1560201 | CIF | C15 H39 Cl2 Cu N4 P3 | P b c a | 16.2129; 16.8046; 17.8201 90; 90; 90 | 4855.1 | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404 |
1560202 | CIF | C54 H45 B Cu F20 N4 P3 | P 1 21/n 1 | 12.8794; 28.2479; 15.6613 90; 110.76; 90 | 5327.9 | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404 |
1560203 | CIF | C39 H39 B Cu F20 N4 P3 | P -1 | 13.443; 14.253; 14.599 93.503; 105.397; 107.916 | 2534.8 | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404 |
1560204 | CIF | C19 H18 N2 O2 S2 | P 1 21 1 | 9.6009; 10.3983; 9.9867 90; 115.222; 90 | 901.95 | Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360 |
1560205 | CIF | C38 H56 F9 N4 O16 S3 Yb | P 21 21 2 | 23.069; 24.5839; 9.5501 90; 90; 90 | 5416.1 | Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360 |
1560206 | CIF | C49 H78 F9 N4 O17 S3 Yb | P 1 21 1 | 11.9789; 20.7474; 12.9099 90; 106.293; 90 | 3079.7 | Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360 |
1560207 | CIF | C122 H112 O4 S2 | P -1 | 8.9363; 15.5536; 17.3731 106.709; 97.475; 95.961 | 2267.6 | Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid Chemical Science, 2021, 12, 3952-3957 |
1560208 | CIF | C63 H66 Cu3 N9 | P -1 | 9.7333; 27.941; 42.675 75.096; 83.457; 84.935 | 11121.3 | Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431 |
1560209 | CIF | C63 H66 Cu3 N9 | P 1 c 1 | 11.4093; 28.8937; 17.7109 90; 104.338; 90 | 5656.66 | Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431 |
1560210 | CIF | C63 H66 Cu3 N9 | P 1 21/c 1 | 11.52641; 29.1085; 17.85854 90; 103.99; 90 | 5814.11 | Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431 |
1560211 | CIF | C22 H45 Fe N4 O7 | P 1 21/c 1 | 13.571; 11.046; 19.406 90; 102.992; 90 | 2834.6 | Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan Characterization and reactivity study of non-heme high-valent iron‒hydroxo complexes Chemical Science, 2021, 12, 4418-4424 |
1560212 | CIF | C30 H16 O2 | P 1 21/c 1 | 8.1656; 15.1358; 15.7979 90; 102.468; 90 | 1906.5 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560213 | CIF | C30 H18 N2 | P 1 21/c 1 | 15.9958; 15.9492; 7.8148 90; 91.516; 90 | 1993.02 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560214 | CIF | C15 H8 O2 S | C 1 2/c 1 | 17.7976; 10.4721; 11.7388 90; 99.158; 90 | 2159.97 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560215 | CIF | C57 H34 Cl2 | P 21 21 21 | 8.57192; 20.53361; 22.43166 90; 90; 90 | 3948.25 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560216 | CIF | C30 H16 S2 | P 1 21/n 1 | 9.338; 13.622; 16.299 90; 102.204; 90 | 2026.4 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560217 | CIF | C28.5 H16.5 Cl1.5 O | P 41 2 2 | 9.0201; 9.0201; 49.382 90; 90; 90 | 4017.8 | Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793 |
1560218 | CIF | C70 H86 B P2 Y | P 1 21/c 1 | 19.84621; 15.33735; 19.6362 90; 91.1824; 90 | 5975.76 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560219 | CIF | C39 H57 Cl2 F6 P2 Ru Sb | P 1 21/n 1 | 14.68263; 10.27641; 28.8561 90; 94.9221; 90 | 4337.89 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560220 | CIF | C26 H36 Cl4 Hf P2 | P 1 21/c 1 | 13.847; 11.756; 17.937 90; 95.395; 90 | 2907 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560221 | CIF | C33 H43 Cl5 N P2 Ta | P b c a | 20.20265; 16.84883; 20.7566 90; 90; 90 | 7065.36 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560222 | CIF | C30.5 H39 Br Cl3 Mn O3 P2 | P 1 21/c 1 | 12.12; 18.798; 15.683 90; 111.303; 90 | 3329 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560223 | CIF | C30 H36 Cr O4 P2 | P 1 21/n 1 | 11.87864; 15.68278; 15.58857 90; 102.773; 90 | 2832.13 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560224 | CIF | C45 H60 Cl N O2 P2 Pt | P 1 21/c 1 | 18.1766; 11.59885; 21.4296 90; 114.947; 90 | 4096.41 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560225 | CIF | C38 H55 Cl5 F6 P2 Rh Sb | P 1 21/c 1 | 8.68119; 24.5831; 20.7842 90; 96.7728; 90 | 4404.61 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560226 | CIF | C33 H42 N2 O3 P2 W | P 1 21/n 1 | 10.771; 18.02; 16.983 90; 97.989; 90 | 3264 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560227 | CIF | C29 H36 O3 P2 W | P b c a | 15.652; 16.072; 22.3038 90; 90; 90 | 5610.7 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560228 | CIF | C33 H42 Mo N2 O3 P2 | P 1 21/n 1 | 10.771; 18.08; 16.992 90; 97.838; 90 | 3278 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560229 | CIF | C38 H52 Mo O6 P2 | P 1 21/c 1 | 10.8424; 15.9246; 22.3877 90; 101.63; 90 | 3786.12 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560230 | CIF | C35 H48 Mo O4.5 P2 | C 1 2/c 1 | 32.514; 11.57882; 39.5477 90; 113.917; 90 | 13610.2 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560231 | CIF | C86 H100 Au B F2 O P2 | P 1 21/c 1 | 11.28458; 13.79053; 47.7699 90; 90.5291; 90 | 7433.65 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560232 | CIF | C29 H36 Mo O3 P2 | P b c a | 15.65317; 16.11165; 22.26048 90; 90; 90 | 5614.06 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560233 | CIF | C56 H82 O3 P2 S2 Zn | P 1 21/c 1 | 20.688; 26.218; 40.07 90; 95.99; 90 | 21615 | Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701 |
1560234 | CIF | C55 H38 Cl2 | P 1 21/c 1 | 6.2639; 22.294; 30.28 90; 95.509; 90 | 4209 | Zhao, Chong; Liu, Fupin; Feng, Lai; Nie, Mingzhe; Lu, Yuxi; Zhang, Jie; Wang, Chunru; Wang, Taishan Construction of a double-walled carbon nanoring. Nanoscale, 2021, 13, 4880-4886 |
1560235 | CIF HKL Paper | C20 H22 N2 O4 | P -1 | 8.7181; 10.723; 11.2096 113.035; 91.4395; 107.402 | 908.09 | Yoo, Miri; Koh, Dongsoo 1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone IUCrData, 2021, 6, x210096 |
1560236 | CIF | C32 H43 Ba N6 O11 S2 | P c a 21 | 17.6827; 10.4422; 22.5408 90; 90; 90 | 4162.08 | Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J. Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand Chemical Science, 2021, 12, 3733-3742 |
1560237 | CIF | C59 H76 Cl Ir N2 | P 21 21 21 | 16.297; 17.0451; 17.8125 90; 90; 90 | 4948.03 | Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes Chemical Science, 2021, 12, 3751-3767 |
1560238 | CIF | C55 H64 Br2 N4 O13 | P -1 | 9.3936; 16.783; 17.8687 75.171; 83.247; 84.427 | 2697.7 | Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework Chemical Science, 2021, 12, 3944-3951 |
1560239 | CIF | C50 H52 Br2 N4 O12 | P 1 21/n 1 | 19.889; 18.209; 33.691 90; 105.93; 90 | 11733 | Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework Chemical Science, 2021, 12, 3944-3951 |
1560240 | CIF | C57 H67.5 B Br2 F4 N4.5 O12.5 | P 1 21/c 1 | 28.49; 10.505; 43.418 90; 106.34; 90 | 12470 | Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework Chemical Science, 2021, 12, 3944-3951 |
1560241 | CIF | C38 H41 F3 P2 | P 1 21/c 1 | 9.60831; 33.8371; 10.09764 90; 99.1105; 90 | 3241.5 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560242 | CIF | C41.79 H50.79 Cl0.41 N0.79 P2 | P -1 | 10.9245; 12.9655; 14.1731 63.574; 81.1475; 75.1466 | 1735.83 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560243 | CIF | C38 H44 Au Cl O P2 | C 1 2/c 1 | 41.898; 15.2834; 11.6875 90; 93.097; 90 | 7473.1 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560244 | CIF | C41 H50 Au Cl O P2 | P -1 | 9.3045; 10.502; 18.6397 97.739; 91.819; 94.738 | 1796.94 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560245 | CIF | C38 H44 P2 | P 1 21/n 1 | 10.29027; 10.5467; 29.0177 90; 96.2428; 90 | 3130.57 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560246 | CIF | C45 H52 Au Cl P2 | P 1 21/c 1 | 11.24594; 18.3601; 18.9125 90; 95.9476; 90 | 3883.97 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560247 | CIF | C40 H48 Au Cl P2 | P 1 21/n 1 | 12.0432; 16.7764; 17.8978 90; 106.65; 90 | 3464.49 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560248 | CIF | C38 H41 Au Cl F3 P2 | P -1 | 11.01072; 17.1399; 18.8182 80.1354; 77.3539; 89.9789 | 3411.48 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560249 | CIF | C38 H44 O P2 | P c a 21 | 11.3956; 15.6766; 18.1208 90; 90; 90 | 3237.18 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560250 | CIF | C44 H50 P2 | P -1 | 9.3576; 13.3096; 14.9346 93.442; 93.343; 107.914 | 1760.89 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560251 | CIF HKL Paper | C13 H13 N3 O6 | P 1 21/c 1 | 8.639; 20.045; 8.116 90; 101.326; 90 | 1378.1 | Huang, Houshi; Wu, Zhichao 2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate IUCrData, 2021, 6, x201640 |
1560262 | CIF | C57 H73 Cl2 N2 O3.5 P2 Ru | P 1 | 16.268; 17.763; 23.082 87.715; 81.35; 66.621 | 6051.3 | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511 |
1560263 | CIF | C55 H68 Cl2 N2 O3 P2 Ru | P 41 21 2 | 14.0362; 14.0362; 55.098 90; 90; 90 | 10855 | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511 |
1560264 | CIF | C55 H68 Cl2 N2 O3 P2 Ru | P 1 21 1 | 14.485; 13.276; 16.008 90; 104.344; 90 | 2982.4 | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511 |
1560265 | CIF | C50 H58 Cl4 N2 O5 P2 Ru | C 1 2 1 | 29.604; 12.869; 29.396 90; 114.68; 90 | 10176 | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511 |
1560266 | CIF | C123 H142 Cl10 F4 N4 O6 P4 Ru2 | P 1 | 13.3642; 15.0349; 18.4697 89.212; 76.738; 66.771 | 3307.09 | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511 |
1560267 | CIF | C180 H138 Ag14 Cl6 F6 P8 Pt S6 | C 1 2/c 1 | 48.002; 35.012; 30.277 90; 127.84; 90 | 40185 | Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C, 2021, 125, 2194-2201 |
1560268 | CIF | C180 H138 Ag14 Cl6 F6 P8 Pt S6 | C 1 2/c 1 | 47.8113; 34.9302; 30.1732 90; 127.995; 90 | 39711 | Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C, 2021, 125, 2194-2201 |
1560269 | CIF | C216 H140 Ag24 Cl20 F20 P4 Pt S20 | P -1 | 18.9452; 19.2539; 20.0639 89.647; 67.76; 71.704 | 6378.7 | Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters The Journal of Physical Chemistry C, 2021, 125, 2194-2201 |
1560270 | CIF | C30 H30 Cl N O2 | P -1 | 9.9157; 10.1069; 13.5253 78.6034; 69.679; 89.5945 | 1243.24 | MARFO-OWUSU, Emmanuel; THOMPSON, Amber L. Crystal Structure of a Benzyltrimethylammonium Chloride Complex with <i>rac</i>-1,1′-Bi-2-naphthol: The Generation of Weak Interactions by the Influence of a Benzyl Group X-ray Structure Analysis Online, 2021, 37, 1-2 |
1560271 | CIF | C41 H56 Cl2 Mn2 N8 O12 | P n m a | 15.052; 20.449; 14.7 90; 90; 90 | 4524.6 | MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro Crystal Structure of a μ-Phenolato-μ-oxido-bridged Dinuclear Manganese(III) Complex with Dinucleating Schiff-base Ligand Having Three Phenolate Groups X-ray Structure Analysis Online, 2021, 37, 3-5 |
1560272 | CIF | C10 H8 Cl6 N8 O2 Ru2 | P 1 21/c 1 | 7.1611; 10.7203; 11.6662 90; 90.805; 90 | 895.52 | Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System. Biosensors, 2021, 11, 19 |
1560273 | CIF | C10 H12 Cl6 N8 O4 Ru2 | P 1 21/c 1 | 8.7139; 11.8652; 10.2858 90; 112.318; 90 | 983.81 | Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System. Biosensors, 2021, 11, 19 |
1560274 | CIF | C32 H40 K N O6 | P 1 21 1 | 9.4575; 13.1739; 12.1272 90; 101.138; 90 | 1482.49 | Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J. Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions Chemical Science, 2021, 12, 4405-4410 |
1560275 | CIF | C38 H50 N Na O6 | P 1 21/c 1 | 17.7615; 11.8703; 34.9201 90; 100.04; 90 | 7249.6 | Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J. Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions Chemical Science, 2021, 12, 4405-4410 |
1560276 | CIF | C32 H46 N Na O6 | P -1 | 11.6153; 11.6198; 12.645 104.751; 95.937; 99.774 | 1607.08 | Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J. Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions Chemical Science, 2021, 12, 4405-4410 |
1560277 | CIF | C26 H20 N | P 1 21 1 | 9.8522; 7.7653; 12.2084 90; 95.841; 90 | 929.16 | Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J. Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions Chemical Science, 2021, 12, 4405-4410 |
1560278 | CIF | C64 H92 Li2 N2 O12 | P 1 21/c 1 | 11.6347; 18.1467; 31.5962 90; 95.756; 90 | 6637.3 | Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J. Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions Chemical Science, 2021, 12, 4405-4410 |
1560279 | CIF | C17.24 H19.73 N3 O4.75 | P -1 | 7.2814; 10.1224; 12.178 92.523; 106.963; 100.062 | 841.02 | Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Gelfand, Benjamin S.; Derksen, Darren J. Rapid synthesis of pomalidomide-conjugates for the development of protein degrader libraries Chemical Science, 2021, 12, 4519-4525 |
1560280 | CIF | C11 H16 O7 | P 21 21 21 | 4.8832; 7.5868; 35.478 90; 90; 90 | 1314.4 | Aitken, R.; Haslett, Oliver; Slawin, Alexandra (S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate Molbank, 2021, 2021, M1178 |
1560281 | CIF | C21 H27 B F2 I N3 O5 | P -1 | 8.6034; 9.0805; 16.4248 99.579; 94.035; 108.412 | 1190.09 | Kuno, Atsuko; Maeda, Hiromitsu Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems. Molecules (Basel, Switzerland), 2021, 26, 595 |
1560282 | CIF | C19 H23 B F2 I N3 O4 | P 1 21/c 1 | 11.2903; 22.2353; 16.8402 90; 98.74; 90 | 4178.53 | Kuno, Atsuko; Maeda, Hiromitsu Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems. Molecules (Basel, Switzerland), 2021, 26, 595 |
1560283 | CIF | C19 H24 O6 | P 21 21 21 | 5.20899; 13.1379; 24.88894 90; 90; 90 | 1703.28 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560284 | CIF | C17 H26 O6 | P 1 21 1 | 8.61617; 16.0717; 12.1358 90; 90.6233; 90 | 1680.42 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560285 | CIF | C19 H26 O7 | C 1 2 1 | 35.002; 5.4539; 23.7081 90; 126.11; 90 | 3656.3 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560286 | CIF | C19 H26 O6 | P 21 21 21 | 5.5123; 16.2923; 39.6735 90; 90; 90 | 3563 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560287 | CIF | C22 H28 O7 | P 1 21 1 | 5.59493; 16.1943; 11.21004 90; 97.6959; 90 | 1006.55 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560288 | CIF | C18 H24 O6 | P 21 21 21 | 5.46419; 15.26209; 20.85735 90; 90; 90 | 1739.4 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560289 | CIF | C18 H22 O6 | P 21 21 21 | 5.41732; 15.13174; 20.13674 90; 90; 90 | 1650.68 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560290 | CIF | C19 H24 O6 | P 21 21 21 | 6.92375; 15.28917; 17.20264 90; 90; 90 | 1821.04 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560291 | CIF | C20 H28 O9 | P 21 21 21 | 5.7391; 10.8943; 32.111 90; 90; 90 | 2007.7 | Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp. Journal of natural products, 2021, 84, 483-494 |
1560292 | CIF | C59.5 H70 N10 Ni2 O10.5 | P 1 21/n 1 | 18.9647; 12.1455; 26.148 90; 107.084; 90 | 5757.1 | Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications Polymer Chemistry, 2021, 12, 1244-1259 |
1560293 | CIF | C60 H70 Cl2 N12 Ni2 O14 | P -1 | 12.9818; 14.4796; 17.1256 104.692; 96.273; 90.903 | 3092.1 | Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications Polymer Chemistry, 2021, 12, 1244-1259 |
1560294 | CIF | C67 H88 N12 Ni2 O16 | P -1 | 14.843; 16.799; 17.052 111.232; 106.501; 104.907 | 3477.9 | Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications Polymer Chemistry, 2021, 12, 1244-1259 |
1560295 | CIF HKL Paper | C13 H19 I N2 O | P 21 21 21 | 8.9944; 11.325; 14.4042 90; 90; 90 | 1467.23 | Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Bufotenidinium iodide IUCrData, 2021, 6, x210123 |
1560298 | CIF | C22 H21 B F2 N2 O2 | P c a 21 | 12.6493; 9.244; 18.0005 90; 90; 90 | 2104.8 | Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates Chemical Science, 2021, 12, 4503-4508 |
1560301 | CIF | C144 H124 N2 P8 Ru2 S | P n a 21 | 25.3115; 44.5483; 10.235 90; 90; 90 | 11540.8 | Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction Chemical Science, 2021, 12, 4338-4344 |
1560302 | CIF | C198 H178 P12 Ru3 S2 Si2 | P -1 | 12.3659; 17.9279; 20.5933 108.974; 100.29; 100.6 | 4101.7 | Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction Chemical Science, 2021, 12, 4338-4344 |
1560303 | CIF | C126 H116 P8 Ru2 S Si2 | P -1 | 10.107; 15.3835; 37.02 83.51; 89.395; 86.371 | 5707.5 | Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction Chemical Science, 2021, 12, 4338-4344 |
1560304 | CIF | C25 H14 O3 S | P 1 21/m 1 | 7.5851; 43.318; 8.593 90; 100.325; 90 | 2777.7 | Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L. Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry Chemical Science, 2021, 12, 4841-4849 |
1560305 | CIF | C62 H41 B F24 N2 O3 | P -1 | 13.4502; 15.5304; 16.0826 106.612; 101.513; 105.375 | 2962.9 | Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L. Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry Chemical Science, 2021, 12, 4841-4849 |
1560306 | CIF | C70.5 H56 B Cl F24 N3 O3 P | P -1 | 13.1828; 17.102; 17.4082 114.902; 105.306; 96.778 | 3313.7 | Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L. Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry Chemical Science, 2021, 12, 4841-4849 |
1560307 | CIF | C64 H50 B F24 O4 P | P 1 21/c 1 | 19.596; 18.3533; 18.172 90; 108.476; 90 | 6198.7 | Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L. Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry Chemical Science, 2021, 12, 4841-4849 |
1560308 | CIF | C23 H20 B Cl2 F4 O3 P | P 1 21/c 1 | 10.071; 18.5524; 13.0354 90; 111.106; 90 | 2272.16 | Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L. Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry Chemical Science, 2021, 12, 4841-4849 |
1560309 | CIF | C12 H8 N2 O | P 1 21/c 1 | 14.2681; 3.9182; 17.1782 90; 109.954; 90 | 902.7 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560310 | CIF | C13 H11 N O2 | P 1 21/c 1 | 10.6358; 9.5636; 10.4269 90; 100.187; 90 | 1043.87 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560311 | CIF | C13 H11 N O | P 1 21/c 1 | 10.8844; 9.9707; 9.168 90; 91.835; 90 | 994.45 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560312 | CIF | C14 H13 N O2 | P 1 21/c 1 | 11.6656; 9.4061; 10.7626 90; 97.797; 90 | 1170.04 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560313 | CIF | C23 H25 N O3 | C 1 2 1 | 21.9099; 6.5137; 14.4743 90; 115.663; 90 | 1861.93 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560314 | CIF | C10 H11 N S | P -1 | 7.3211; 7.9973; 8.7918 69.178; 74.117; 83.714 | 462.72 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560315 | CIF | C13 H11 N O2 | P 1 21/n 1 | 12.1957; 7.1469; 12.4085 90; 105.197; 90 | 1043.72 | Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R. Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones Chemical Science, 2021, 12, 4850-4865 |
1560316 | CIF | C144 H123 Au11 Cl6 Cu N3 P7 S3 | P 1 21/c 1 | 17.0278; 37.9099; 26.2407 90; 99.317; 90 | 16715.5 | Wu, Haiming; Fang, Ye-Guang; Anumula, Rajini; Andrew, Gaya N.; Cui, Ganglong; Fang, Weihai; Luo, Zhixun; Yao, Jiannian A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence. Nanoscale, 2021, 13, 5300-5306 |
1560318 | CIF | C28 H29 I N O | C 1 2/c 1 | 19.3573; 11.0456; 24.549 90; 101.158; 90 | 5149.68 | Tian, Minggang; Sun, Jie; Dong, Baoli; Ma, Yanyan; Lin, Weiying Dual-Emissive Probe for Reversible Visualization of ΔΨ<sub>m</sub> Revealing Voltage Heterogeneity in a Single Mitochondrion. Analytical chemistry, 2021, 93, 3493-3501 |
1560319 | CIF | C256 H477 N60 O72.5 | P 1 | 9.61; 17.037; 49.01 83.751; 88.217; 74.756 | 7696 | Lee, Jin Woo; Collins, Jennifer E.; Wendt, Karen L.; Chakrabarti, Debopam; Cichewicz, Robert H. Leveraging Peptaibol Biosynthetic Promiscuity for Next-Generation Antiplasmodial Therapeutics. Journal of natural products, 2021, 84, 503-517 |
1560320 | CIF | C46 H47 Br2 N2 Ni O6 | P 1 21/n 1 | 8.8225; 23.3225; 20.1979 90; 90; 90 | 4156 | Ma, Xin; Zhang, Yixin; Jian, Zhongbao Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts Polymer Chemistry, 2021, 12, 1236-1243 |
1560321 | CIF | C43 H43 Cl N2 O4 Pd | P 1 21/c 1 | 11.7634; 19.4057; 19.6256 90; 97.145; 90 | 4445.3 | Ma, Xin; Zhang, Yixin; Jian, Zhongbao Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts Polymer Chemistry, 2021, 12, 1236-1243 |
1560322 | CIF | C50 H55.5 Br2 N2 Ni O2 | P 1 21/c 1 | 24.6463; 40.129; 8.8579 90; 97.615; 90 | 8683.5 | Ma, Xin; Zhang, Yixin; Jian, Zhongbao Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts Polymer Chemistry, 2021, 12, 1236-1243 |
1560347 | CIF | C3.5 H4.5 Br0.5 N0.25 O0.25 | P 1 21/c 1 | 12.0433; 9.2013; 14.945 90; 101.24; 90 | 1624.4 | Ruan, Yang; Li, Qian-Hui; Shu, Lijin; Wan, Jun-Hua A shape-persistent arylene ethynylene macrocycle with a multiple acetamide modified cavity: synthesis and gelation. Soft matter, 2021, 17, 3242-3249 |
1560366 | CIF HKL Paper | C20 H22 B N O2 | P -1 | 8.204; 9.7; 11.33 80.975; 81.242; 78.726 | 866.4 | Kanagawa, Mayu; Akagi, Kazuto; Okuno, Tsunehisa 9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole IUCrData, 2021, 6, x210142 |
1560367 | CIF | C35 H51 K Mn N3 O12 | P 1 21/c 1 | 9.4091; 15.768; 25.766 90; 94.907; 90 | 3808.7 | Yang, Yong; Ertem, Mehmed Z.; Duan, Lele An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential Chemical Science, 2021, 12, 4779-4788 |
1560368 | CIF | C16 H13 Br Mn N3 O4 | P 1 21/n 1 | 10.5955; 10.5011; 15.0027 90; 94.048; 90 | 1665.1 | Yang, Yong; Ertem, Mehmed Z.; Duan, Lele An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential Chemical Science, 2021, 12, 4779-4788 |
1560369 | CIF | C15 H11 Br Mn N3 O4 | P 1 21/c 1 | 10.65; 9.121; 16.456 90; 100.266; 90 | 1572.9 | Yang, Yong; Ertem, Mehmed Z.; Duan, Lele An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential Chemical Science, 2021, 12, 4779-4788 |
1560370 | CIF | C22 H20 N2 O9 | P 1 21 1 | 6.8601; 20.5081; 7.345 90; 92.708; 90 | 1032.2 | Yang, Jinghui; Xia, Yan Mechanochemical generation of acid-degradable poly(enol ether)s Chemical Science, 2021, 12, 4389-4394 |
1560371 | CIF | C9 H15 B F4 N6 | I 1 2/m 1 | 10.535; 6.4885; 18.7172 90; 92.323; 90 | 1278.39 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1560372 | CIF | C9 H16 B2 F8 N6 | P -1 | 7.1669; 9.7427; 11.6885 90.304; 91.835; 105.407 | 786.33 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1560373 | CIF | C22 H34 B4 F16 N14 | P -1 | 10.15; 11.83; 15.93 97.92; 92.65; 102.91 | 1841 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1560374 | CIF | C42 H57 Ag4 B4 F15.987 N27 | P -1 | 11.052; 14.637; 21.244 85.032; 81.796; 77.855 | 3319.6 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1560436 | CIF HKL Paper | C13 H10 O2 | P 43 | 7.4781; 7.4781; 33.0219 90; 90; 90 | 1846.65 | Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima 2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione IUCrData, 2021, 6, x210167 |
1560437 | CIF HKL Paper | C28 H40 Cd2 Cl4 N6 O | P 1 21/c 1 | 11.9747; 15.6483; 17.8804 90; 95.292; 90 | 3336.2 | Al-Sudani, Abdul-Razak H.; Abdulridha, Myasim Qasim; Kariuki, Benson M. Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate IUCrData, 2021, 6, x210150 |
1560480 | CIF | C25 H24 O6 Sn | P b c a | 11.9618; 16.8603; 23.0411 90; 90; 90 | 4646.9 | Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J. Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification Catalysis Science & Technology, 2021, 11, 3326-3332 |
1560481 | CIF | C43 H34 Cl2 N2 O2 | P 1 21/c 1 | 8.09943; 31.2756; 13.9351 90; 98.024; 90 | 3495.4 | Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials Materials Horizons, 2021, 8, 1499-1508 |
1560482 | CIF | C42 H32 N2 O2 | P -1 | 10.5918; 11.6746; 13.726 103.723; 94.505; 107.201 | 1554.74 | Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials Materials Horizons, 2021, 8, 1499-1508 |
1560486 | CIF | C26 H16 F4 N2 O2 | P c a 21 | 23.488; 13.488; 6.8185 90; 90; 90 | 2160.1 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
1560487 | CIF | C26 H16 F4 N2 S2 | P 21 21 21 | 7.5367; 12.1564; 24.9857 90; 90; 90 | 2289.2 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
1560488 | CIF | C26 H18 F2 N2 S2 | P 1 21/c 1 | 12.6491; 25.0889; 6.7996 90; 90.0296; 90 | 2157.87 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
1560489 | CIF | C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 | P -1 | 12.153; 12.359; 14.189 112.1; 108.14; 93.93 | 1834.3 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560490 | CIF | C42 H54 Mg2 O15 | P 1 21/c 1 | 15.325; 15.605; 36.005 90; 91.41; 90 | 8608 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560491 | CIF | C56 H58 Li2 Mg2 O20 | P -1 | 11.256; 11.97; 12.208 74.86; 64.78; 63.45 | 1326 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560492 | CIF | C64 H74 Mg2 Na2 O22 | P -1 | 12.842; 14.112; 19.578 83.06; 85.31; 64.38 | 3174 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560493 | CIF | C64 H74 K2 Mg2 O22 | P 42/n :2 | 17.645; 17.645; 20.477 90; 90; 90 | 6375.4 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560494 | CIF | C50 H46 Cl4 Li2 O18 Zn2 | P -1 | 11.011; 11.886; 12.07 74.65; 66.16; 63.99 | 1291.2 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560495 | CIF | C56 H58 Na2 O20 Zn2 | P -1 | 11.298; 11.637; 12.267 109.29; 104.32; 99.73 | 1418.5 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560496 | CIF | C34 H32 Cl4 Na2 O12 Zn | P 1 21/n 1 | 16.603; 17.941; 25.607 90; 90.3; 90 | 7628 | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste Macromolecules, 2021, 54, 2449-2465 |
1560497 | CIF | C18 H23 Cl Ir N O2 | P 21 21 21 | 8.2268; 14.3426; 14.7546 90; 90; 90 | 1740.95 | Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species Catalysis Science & Technology, 2021, 11, 2885-2895 |
1560498 | CIF | C30 H32 Cl4 F2 Ir2 | P -1 | 8.7487; 17.713; 20.308 73.261; 89.913; 83.794 | 2994.6 | Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species Catalysis Science & Technology, 2021, 11, 2885-2895 |
1560499 | CIF | C57 H43 Cl3 N6 Ni | P 1 21/c 1 | 9.4132; 16.3463; 31.8 90; 91.407; 90 | 4891.6 | Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors Chemical Science, 2021, 12, 4709-4721 |
1560500 | CIF | C127 H101 B Br4 N12 Ni Ru S3 | P -1 | 16.1291; 19.1492; 24.8626 75.72; 89.677; 66.509 | 6787.8 | Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors Chemical Science, 2021, 12, 4709-4721 |
1560501 | CIF | C28 H36 Br O3 P | P 21 21 21 | 9.15691; 16.71291; 17.53844 90; 90; 90 | 2684.06 | Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin Access to P-stereogenic compounds via desymmetrizing enantioselective bromination Chemical Science, 2021, 12, 4582-4587 |
1560502 | CIF | C22 H20 O4 | P 21 21 21 | 8.9798; 11.0389; 17.2809 90; 90; 90 | 1713.01 | Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B Chemical Science, 2021, 12, 4747-4752 |
1560503 | CIF | C22 H20 O4 | P 21 21 21 | 9.1038; 11.1728; 17.3015 90; 90; 90 | 1759.82 | Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B Chemical Science, 2021, 12, 4747-4752 |
1560504 | CIF | C26 H32 Cl2 O5 | P 21 21 21 | 7.4407; 11.6989; 28.3425 90; 90; 90 | 2467.16 | Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B Chemical Science, 2021, 12, 4747-4752 |
1560527 | CIF | C40 H52 B20 | P 32 2 1 | 11.3287; 11.3287; 29.3678 90; 90; 120 | 3264.1 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560528 | CIF | C18 H38 B20 Cl2 | C 1 2/c 1 | 33.909; 13.6784; 13.6791 90; 108.58; 90 | 6014 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560529 | CIF | C22 H46 B20 Cl2 | P 21 21 21 | 11.7538; 12.8616; 21.8976 90; 90; 90 | 3310.3 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560530 | CIF | C44 H60 B20 | P 1 21/n 1 | 11.4361; 19.1205; 21.4742 90; 94.001; 90 | 4684.2 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560531 | CIF | C27 H54.5 B20 O0.25 | P -1 | 13.3453; 16.5248; 18.4539 82.5401; 78.3148; 83.5363 | 3935.9 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560532 | CIF | C30 H60 B20 | C 1 2/c 1 | 24.2513; 10.403; 18.2107 90; 120.094; 90 | 3975 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560533 | CIF | C22 H48 B20 | P 21 21 21 | 10.3911; 13.0014; 24.381 90; 90; 90 | 3293.8 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560534 | CIF | C26 H56 B20 | P 1 21/n 1 | 13.3754; 13.4901; 19.9071 90; 91.104; 90 | 3591.3 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560535 | CIF | C24 H54 B20 | P 1 21/n 1 | 13.2519; 11.98; 21.8685 90; 105.683; 90 | 3342.5 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560536 | CIF | C26 H62 B20 Si2 | P -1 | 11.326; 12.468; 15.493 108.096; 95.522; 104.001 | 1982.7 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560537 | CIF | C38 H59 B20 | P -1 | 11.6972; 13.3199; 15.5282 75.8963; 79.1092; 66.3809 | 2138.51 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560538 | CIF | C27 H48 B20 | P 1 21/c 1 | 11.0591; 17.981; 17.9274 90; 92.3086; 90 | 3562 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560539 | CIF | C14 H30 B10 | P 1 21/c 1 | 11.1066; 27.939; 12.8423 90; 90.244; 90 | 3985 | Zhang, Jie; Xie, Zuowei Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics Chemical Science, 2021, 12, 5616-5620 |
1560599 | CIF | C30 H18 N4 S | R -3 :H | 25.7763; 25.7763; 17.9852 90; 90; 120 | 10348.7 | Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20% Chemical Science, 2021, 12, 5171-5176 |
1560600 | CIF | C47 H52 Cl2 N4 S | P -1 | 10.6634; 10.9432; 18.341 88.604; 83.994; 82.942 | 2112.2 | Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20% Chemical Science, 2021, 12, 5171-5176 |
1560601 | CIF | C64 H72 N4 S | P -1 | 12.041; 15.9608; 16.4529 114.757; 104.294; 93.279 | 2735.8 | Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20% Chemical Science, 2021, 12, 5171-5176 |
1560602 | CIF | C29 H23 F O5 | P 1 21 1 | 9.9631; 9.1494; 13.3605 90; 102.001; 90 | 1191.28 | Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P. Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis Chemical Science, 2021, 12, 4819-4824 |
1560603 | CIF | C15 H15 F O2 | P 1 21/n 1 | 7.3867; 19.0785; 9.3357 90; 111.972; 90 | 1220.09 | Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P. Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis Chemical Science, 2021, 12, 4819-4824 |
1560604 | CIF | C28 H20 F N O4 | P 1 21/c 1 | 12.28538; 20.3181; 8.91344 90; 99.0372; 90 | 2197.31 | Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P. Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis Chemical Science, 2021, 12, 4819-4824 |
1560605 | CIF | C44 H49 Cl2 Na O6 | P -1 | 9.6802; 11.1157; 19.9995 74.62; 88.918; 78.973 | 2035.5 | Wang, Xinya; Wang, Xiaohua; Zhen, Nuo; Gu, Jin; Zhang, Hao; Dong, Bo; Wang, Feng; Liu, Heng Sodium complexes bearing cavity-like conformations: a highly active and well-controlled catalytic system for macrolactone homo- and copolymerization Polymer Chemistry, 2021, 12, 1957-1966 |
1560621 | CIF | C56.08 H50 Cl12.16 N4 Ni Sb | P -1 | 9.2156; 20.0257; 21.5606 114.68; 94.469; 98.787 | 3528.32 | Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin Chemical Science, 2021, 12, 5224-5229 |
1560622 | CIF | C254 H248 N16 Ni4 | P -1 | 21.0654; 22.4572; 25.0542 104.279; 98.423; 111.649 | 10298.3 | Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin Chemical Science, 2021, 12, 5224-5229 |
1560703 | CIF | C38 H32 Cl2 Ir N8 Pt | C 1 2/c 1 | 13.0437; 24.3865; 28.8657 90; 101.971; 90 | 8982.2 | Wu, Si-Hai; Ma, Dian-Xue; Gong, Zhong-Liang; Ma, Junjie; Shao, Jiang-Yang; Yang, Rong; Zhong, Yu-Wu Synthesis, Photophysical, and Computational Studies of a Bridged Ir^III^-Pt^II^ Heterodimetallic Complex Crystals, 2021, 11, 236 |
1560704 | CIF | C23 H30 N2 O5 | C 1 2 1 | 19.5794; 9.9646; 12.819 90; 113.599; 90 | 2291.84 | Chear, Nelson Jeng-Yeou; León, Francisco; Sharma, Abhisheak; Kanumuri, Siva Rama Raju; Zwolinski, Grant; Abboud, Khalil A.; Singh, Darshan; Restrepo, Luis F.; Patel, Avi; Hiranita, Takato; Ramanathan, Surash; Hampson, Aidan J.; McMahon, Lance R.; McCurdy, Christopher R. Exploring the Chemistry of Alkaloids from Malaysian Mitragyna speciosa (Kratom) and the Role of Oxindoles on Human Opioid Receptors Journal of Natural Products, 2021 |
1560705 | CIF | C11 H8 O5 | P 1 21/n 1 | 4.9167; 16.6655; 11.2024 90; 98.726; 90 | 907.29 | Norman, Edward Owen; Tuohey, Hayden; Pizzi, David; Saidah, Milane; Bell, Rachael; Brkljača, Robert; White, Jonathan M.; Gasser, Robin B.; Taki, Aya C.; Urban, Sylvia Phytochemical Profiling and Biological Activity of the Australian Carnivorous Plant, <i>Drosera magna</i>. Journal of natural products, 2021 |
1560706 | CIF HKL Paper | C19 H22 F N5 O | P b c a | 10.6982; 19.8473; 16.7642 90; 90; 90 | 3559.5 | Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre 1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one IUCrData, 2021, 6, x210159 |
1560707 | CIF HKL Paper | C30 H31 N O3 S2 | P -4 21 c | 25.375; 25.375; 8.6456 90; 90; 90 | 5566.82 | Vinotha, G.; Sundar, T. V.; Sharmila, N. 13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one IUCrData, 2021, 6, x210210 |
1560708 | CIF HKL Paper | C28 H24 N3 O6.5 | P 1 21/c 1 | 18.248; 10.304; 27.541 90; 101.41; 90 | 5076.1 | Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate IUCrData, 2021, 6, x210057 |
1560717 | CIF | C17.5 H29 N9 Ni O0.5 S2 | P 1 21/n 1 | 14.8018; 16.4349; 19.1348 90; 102.494; 90 | 4544.6 | Rubín-Osanz, Marcos; Lambert, François; Shao, Feng; Rivière, Eric; Guillot, Régis; Suaud, Nicolas; Guihéry, Nathalie; Zueco, David; Barra, Anne-Laure; Mallah, Talal; Luis, Fernando Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii) Chemical Science, 2021, 12, 5123-5133 |
1560718 | CIF | C38 H38 Cl6 N8 S6 | P -1 | 10.2559; 15.7584; 16.1989 67.534; 71.56; 75.75 | 2271.55 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
1560719 | CIF | C45 H45 N8 S6 | P 1 21/n 1 | 12.8314; 15.7916; 21.178 90; 92.517; 90 | 4287.12 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
1560720 | CIF | C42 H48 N8 S6 | P c a 21 | 14.1011; 14.1412; 41.847 90; 90; 90 | 8344.6 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
1560721 | CIF | Ca3 Ge3 O12 Zn Zr | I a -3 d | 12.5541; 12.5541; 12.5541 90; 90; 90 | 1978.59 | Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L. Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics Journal of Asian Ceramic Societies, 2021, 9, 424-432 |
1560722 | CIF | Ca3 Co Ge3 O12 Zr | I a -3 d | 12.5199; 12.5199; 12.5199 90; 90; 90 | 1962.47 | Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L. Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics Journal of Asian Ceramic Societies, 2021, 9, 424-432 |
1560723 | CIF | C26 H46 N3 P Si3 | P 1 21/n 1 | 11.204; 17.824; 15.275 90; 97.916; 90 | 3021.4 | Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand. Chemical communications (Cambridge, England), 2021, 57, 3203-3206 |
1560724 | CIF | C32 H52 N3 P Se Si3 | P 1 21/n 1 | 10.9693; 19.9448; 15.9939 90; 91.8748; 90 | 3497.3 | Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand. Chemical communications (Cambridge, England), 2021, 57, 3203-3206 |
1560725 | CIF | C20 H28 Cl N2 P Se Si | C 1 2/c 1 | 15.6803; 10.0386; 42.425 90; 92.403; 90 | 6672.2 | Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand. Chemical communications (Cambridge, England), 2021, 57, 3203-3206 |
1560726 | CIF | C6 H14 Cl N2 Na O6 | P 1 2/n 1 | 9.1493; 10.1833; 13.22 90; 108.244; 90 | 1169.8 | Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor Chemical Science, 2021, 12, 5574-5581 |
1560727 | CIF | C130 H93 Br4 Co F12 N27 Ni4 O12 S4 | P 1 21/c 1 | 31.1965; 18.5947; 28.7563 90; 110.013; 90 | 15673.9 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560728 | CIF | C154 H126 Cl4 F18 N38 Ni5 O18 S6 | C 1 2/c 1 | 31.8614; 20.267; 26.4739 90; 114.773; 90 | 15521.9 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560729 | CIF | C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 | C 1 2/c 1 | 32.5915; 19.6893; 26.8651 90; 116.807; 90 | 15386.7 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560730 | CIF | C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 | C 1 2/c 1 | 31.3026; 20.566; 26.4213 90; 112.812; 90 | 15678.8 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560731 | CIF | C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 | C 1 2/c 1 | 33.6581; 19.3004; 27.7984 90; 119.638; 90 | 15695.6 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560732 | CIF | C132 H88 F24 N26 Ni4 O24 S8 | C 1 2/c 1 | 31.7631; 20.376; 26.2656 90; 114.263; 90 | 15497.7 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560733 | CIF | C151 H120 Cl4 F21 Fe N36 Ni4 O21 S7 | C 1 2/c 1 | 31.6627; 20.3859; 26.5585 90; 114.491; 90 | 15600.4 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560734 | CIF | C138 H105 Cl4 Co F18 N28 Ni4 O19 S6 | P 1 21/n 1 | 20.4016; 29.7181; 26.8106 90; 91.1568; 90 | 16251.9 | Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K. Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 2021, 12, 5134-5142 |
1560748 | CIF | C12 H20 Cl2 N4 O2 S | P 1 21/n 1 | 6.966; 20.504; 11.68 90; 98.372; 90 | 1650.5 | Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions. The journal of physical chemistry. A, 2021, 125, 1837-1844 |
1560749 | CIF | C68 H65 Dy O P4 S4 | P -1 | 11.2686; 12.7447; 21.7296 89.265; 88.319; 83.122 | 3096.8 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560750 | CIF | C54 H49 O P4 S4 Y | P 1 21/n 1 | 10.8536; 22.5853; 21.0093 90; 99.013; 90 | 5086.5 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560751 | CIF | C116 H120 Dy2 K2 O8 P8 S8 | P -1 | 13.521; 20.9074; 22.2017 71.645; 79.408; 84.373 | 5849.94 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560752 | CIF | C76 H92 K N2 O8 P4 S4 Y | P -1 | 11.9072; 12.5346; 26.216 81.43; 83.556; 84.318 | 3831.2 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560753 | CIF | C116 H120 K2 O8 P8 S8 Y2 | P -1 | 13.4728; 20.8633; 22.1735 71.523; 79.315; 84.386 | 5803.8 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560754 | CIF | C93 H116 Dy K N4 O7 P4 Si4 | P 1 21/n 1 | 13.23949; 23.5137; 30.0645 90; 97.5329; 90 | 9278.6 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560755 | CIF | C62 H70 Dy Na O6 P4 S4 | P 1 21/c 1 | 14.1523; 30.8391; 15.6028 90; 110.56; 90 | 6376 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560756 | CIF | C62 H70 Gd Na O6 P4 S4 | P 1 21/c 1 | 14.1998; 30.9404; 15.6211 90; 110.508; 90 | 6428.1 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560757 | CIF | C72 H84 Dy K N2 O7 P4 S4 | P -1 | 15.0677; 15.8625; 17.3285 97.435; 91.979; 116.19 | 3665.66 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560758 | CIF | C62 H70 Na O6 P4 S4 Y | P 1 21/c 1 | 14.155; 30.9664; 15.632 90; 110.731; 90 | 6408.3 | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes Chemical Science, 2021, 12, 3911-3920 |
1560759 | CIF | C26 H24 F6 N2 O6 Pd2 | P 1 21/n 1 | 17.9432; 15.8649; 21.6563 90; 114.273; 90 | 5619.8 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560760 | CIF | C35 H30 F6 N2 O7 Pd2 | F d d 2 | 37.712; 13.024; 15.254 90; 90; 90 | 7492 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560761 | CIF | C33 H26 F6 N2 O7 Pd2 | P 1 21/c 1 | 19.2535; 8.0799; 21.9245 90; 93.765; 90 | 3403.4 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560762 | CIF | C34 H26 F6 N2 O8 Pd2 | C 1 2/c 1 | 32.598; 12.5843; 22.685 90; 128.447; 90 | 7288.2 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560763 | CIF | C37 H34 F6 N2 O7 Pd2 | F d d 2 | 37.337; 13.419; 15.197 90; 90; 90 | 7614 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560764 | CIF | C17 H14 F3 N O4 Pd | C 1 2/c 1 | 20.9754; 13.1973; 15.3039 90; 125.008; 90 | 3469.9 | Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András The ortho effect in directed C‒H activation Chemical Science, 2021, 12, 5152-5163 |
1560765 | CIF | C42 H26 N2 | P 1 21/c 1 | 13.9636; 12.6503; 17.3356 90; 103.979; 90 | 2971.5 | Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications Chemical Science, 2021, 12, 5522-5533 |
1560766 | CIF | C42 H22 N2 O4 | C 1 2/c 1 | 18.9074; 9.4843; 18.9118 90; 97.294; 90 | 3363.9 | Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications Chemical Science, 2021, 12, 5522-5533 |
1560767 | CIF | C44 H22 N2 | P 41 21 2 | 14.6129; 14.6129; 29.4748 90; 90; 90 | 6294 | Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications Chemical Science, 2021, 12, 5522-5533 |
1560800 | CIF | C23 H28.5 Cl1.5 N8 O0.25 S2 Zn | C 1 2/c 1 | 14.257; 11.4474; 17.156 90; 108.496; 90 | 2655.3 | Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Journal of medicinal chemistry, 2021, 64, 2024-2045 |
1560801 | CIF | C32 H30 N8 O S2 Zn | P 1 21/c 1 | 10.3073; 29.5898; 9.8383 90; 90.5116; 90 | 3000.5 | Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Journal of medicinal chemistry, 2021, 64, 2024-2045 |
1560802 | CIF | C30 H28 O10 | P 21 21 21 | 8.381; 9.3907; 32.0572 90; 90; 90 | 2523.01 | Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors. Journal of natural products, 2021, 84, 436-443 |
1560803 | CIF | C30 H32 O12 | P 21 21 21 | 13.1752; 17.53391; 23.9821 90; 90; 90 | 5540.17 | Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors. Journal of natural products, 2021, 84, 436-443 |
1560804 | CIF | C20 H28 O5 | P 21 21 21 | 7.9582; 23.6809; 10.0261 90; 90; 90 | 1889.49 | Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>. Journal of natural products, 2021, 84, 247-258 |
1560805 | CIF | C20 H26 O5 | P 1 21 1 | 11.1415; 8.1158; 20.8793 90; 95.962; 90 | 1877.74 | Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>. Journal of natural products, 2021, 84, 247-258 |
1560806 | CIF | C24 H36 O6 | P 21 21 21 | 6.6873; 15.0723; 24.1896 90; 90; 90 | 2438.14 | Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>. Journal of natural products, 2021, 84, 247-258 |
1560807 | CIF | C20 H26 O5 | P 1 21 1 | 7.5625; 11.8123; 21.2504 90; 94.252; 90 | 1893.08 | Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>. Journal of natural products, 2021, 84, 247-258 |
1560808 | CIF | C32 H28 N4 O4 | P 1 21/n 1 | 4.5196; 37.0928; 7.9294 90; 96.848; 90 | 1319.84 | Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S. From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation. The journal of physical chemistry. A, 2021, 125, 1336-1344 |
1560809 | CIF | C35 H36 Cl N5 O16 | P 1 21/c 1 | 21.1662; 7.2822; 23.8529 90; 95.675; 90 | 3658.58 | Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug. Molecular pharmaceutics, 2021, 18, 1138-1149 |
1560810 | CIF | C27 H26 Cl N5 O7 | P -1 | 10.2717; 14.008; 19.5347 73.184; 75.634; 89.646 | 2599.91 | Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug. Molecular pharmaceutics, 2021, 18, 1138-1149 |
1560811 | CIF | C39 H48 Cl2 N4 O4 S | P -1 | 10.9239; 13.7852; 14.6224 116.386; 91.271; 108.043 | 1842.2 | Gui, Yue; McCann, Erin C.; Yao, Xin; Li, Yuhui; Jones, Karen J.; Yu, Lian Amorphous Drug-Polymer Salt with High Stability under Tropical Conditions and Fast Dissolution: The Case of Clofazimine and Poly(acrylic acid). Molecular pharmaceutics, 2021, 18, 1364-1372 |
1560812 | CIF | C100 H160 B2 O8 | P 1 21/c 1 | 19.262; 12.5345; 21.0985 90; 110.846; 90 | 4760.6 | Congrave, Daniel G.; Drummond, Bluebell H.; Gray, Victor; Bond, Andrew D.; Rao, Akshay; Friend, Richard H.; Bronstein, Hugo Suppressing aggregation induced quenching in anthracene based conjugated polymers Polymer Chemistry, 2021, 12, 1830-1836 |
1560813 | CIF | C10 H18 N2 O | P 1 21/n 1 | 9.8352; 9.3209; 11.4836 90; 108.743; 90 | 996.91 | Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings Chemical Science, 2021, 12, 5611-5615 |
1560814 | CIF | C10 H20 Cl2 N2 O | P 1 21 1 | 8.3482; 6.0629; 13.2849 90; 106.642; 90 | 644.24 | Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings Chemical Science, 2021, 12, 5611-5615 |
1560815 | CIF | C33 H36 Br N O2 | P 1 21/n 1 | 10.8109; 10.3081; 25.2697 90; 98.2242; 90 | 2787.09 | MARFO-OWUSU, Emmanuel; THOMPSON, Amber L. The Crystal Structure of a Benzyltriethylammonium Bromide Complex with <i>rac</i>-1,1′-Binaphthalene-2,2′-diol: The Inclusion of an Arylammonium Salt by an Assembly of Binaphthol Groups X-ray Structure Analysis Online, 2021, 37, 7-8 |
1560816 | CIF | C41 H56 Br2 Mn2 N8 O12 | P n m a | 14.89; 20.903; 14.7765 90; 90; 90 | 4599.1 | MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro Crystal Structure of μ-Oxido-μ-phenolato-bridged Dinuclear Manganese(III) Complex of Schiff-base Ligand with Bromido Coordination X-ray Structure Analysis Online, 2021, 37, 9-11 |
1560837 | CIF | C62 H56 Co3 N8 O16 S6 | P 1 21/c 1 | 10.852; 25.406; 12.801 90; 109.74; 90 | 3321.9 | Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P. 3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties. Molecules (Basel, Switzerland), 2021, 26, 1269 |
1560838 | CIF | C48 H58 Co3 N6 O20 S6 | P 1 21/c 1 | 11.96; 25.867; 11.461 90; 106.49; 90 | 3400 | Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P. 3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties. Molecules (Basel, Switzerland), 2021, 26, 1269 |
1560839 | CIF | C52 H61 Co3 N8 O19.5 S6 | F d d d :2 | 11.746; 42.15; 51.849 90; 90; 90 | 25670 | Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P. 3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties. Molecules (Basel, Switzerland), 2021, 26, 1269 |
1560840 | CIF | C37 H25 N O | P 1 21/n 1 | 16.7002; 8.989; 17.8237 90; 96.9476; 90 | 2656 | Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement The Journal of Physical Chemistry C, 2021, 125, 6249-6259 |
1560841 | CIF | C49 H34 N2 O | P -1 | 10.445; 11.048; 15.689 97.771; 96.286; 94.504 | 1775 | Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement The Journal of Physical Chemistry C, 2021, 125, 6249-6259 |
1560842 | CIF | C18 H24 O7 S | P 1 21 1 | 13.1341; 5.5371; 15.0402 90; 113.768; 90 | 1001.03 | Kammer, Lisa Marie; Badir, Shorouk O.; Hu, Ren-Ming; Molander, Gary A. Photoactive Electron Donor-Acceptor Complex Platform for Ni-Mediated C(sp3)‒C(sp2) Bond Formation Chemical Science, 2021 |
1560843 | CIF | C37 H39 Cl Ge N P Si | P -1 | 11; 12.1; 13.5 96; 93; 109 | 1682.5 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560844 | CIF | C43 H45 Br Ge N P Si | P -1 | 11.33; 13.51; 13.61 79.1; 86.7; 69.6 | 1917.3 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560845 | CIF | C31 H44 N P Si | C 1 2/c 1 | 35.733; 9.74; 17.97 90; 107.22; 90 | 5974 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560846 | CIF | C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 | C 1 2/c 1 | 40.613; 9.87; 23.16 90; 101.59; 90 | 9094 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560847 | CIF | C48 H63 K N2 O2 P Si | P -1 | 11.28; 13.73; 15.61 84.3; 83.7; 72.9 | 2291 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560848 | CIF | C34 H46 Cl Ge N P Si | P 1 21/c 1 | 15.55; 19.91; 21.82 90; 95.6; 90 | 6723 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560849 | CIF | C73 H71 Ge N2 Ni P3 Si | P -1 | 12.18; 13.55; 20.86 75.1; 88.3; 70.4 | 3128.1 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560850 | CIF | C31 H43 Br Ge N P Si | P -1 | 11.11; 17.26; 18.29 65.1; 88.4; 85.3 | 3170.5 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560851 | CIF | C73 H69 Br Ge N Ni P3 Si | P -1 | 12.68; 15.53; 19.47 98.6; 92; 91.3 | 3787.1 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560852 | CIF | C71 H83 Cl Ge N Ni O P3 Si | P 1 21/c 1 | 17.37; 19.77; 19.41 90; 102.7; 90 | 6502 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560853 | CIF | C71 H84 Ge N Ni O2 P3 Si | P 1 21/c 1 | 17.43; 19.84; 19.41 90; 103.4; 90 | 6529 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560854 | CIF | C41 H44 Br2 Cl Ge N3 Ni P Si | P 1 21/c 1 | 20.25; 11.15; 18.55 90; 94.5; 90 | 4175.4 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560855 | CIF | C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si | P -1 | 12.16; 13.52; 20.8 75.4; 89; 70.9 | 3119.1 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560856 | CIF | C77 H80 Ge N Ni O2 P3 Si | P 1 21/c 1 | 17.68; 19.18; 20.65 90; 108.8; 90 | 6629 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560857 | CIF | C41 H49 Cl Ge N O P Si | P -1 | 11.25; 17.78; 20.52 88.3; 75.7; 73.3 | 3805.8 | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex Chemical Science, 2021, 12, 5582-5590 |
1560858 | CIF | C30 H17 Co3 N4 O14 | I m -3 m | 33.2828; 33.2828; 33.2828 90; 90; 90 | 36868.8 | Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption. Chemical science, 2021, 12, 5767-5773 |
1560859 | CIF | C30 H17 N4 Ni3 O14 | I m -3 m | 32.9754; 32.9754; 32.9754 90; 90; 90 | 35856.7 | Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption. Chemical science, 2021, 12, 5767-5773 |
1560860 | CIF | C30 H17 Co2 N4 O14 Ti | I m -3 m | 33.2244; 33.2244; 33.2244 90; 90; 90 | 36675.1 | Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption. Chemical science, 2021, 12, 5767-5773 |
1560861 | CIF | C26 H32 N2 Ni O2 | P -1 | 6.4256; 7.7129; 11.9856 98.709; 101.8; 104.3 | 550.52 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
1560862 | CIF | C26 H32 Cu N2 O2 | P -1 | 6.4641; 7.7224; 11.9925 97.647; 101.861; 105.261 | 553.99 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
1560863 | CIF | C34 H36 N2 Ni O2 | P 1 21/n 1 | 6.0847; 10.5704; 20.8597 90; 97.882; 90 | 1328.97 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
1560864 | CIF | C34 H36 Cu N2 O2 | P 1 21/n 1 | 11.0325; 5.6889; 21.554 90; 99.41; 90 | 1334.59 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
1560944 | CIF | C40 H53 N O6 | P 1 21 1 | 10.8272; 9.0795; 19.3623 90; 103.029; 90 | 1854.42 | Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi Structural Revision of Guttiferone F and 30-epi-Cambogin Journal of Natural Products, 2021 |
1560945 | CIF | C38 H50 O6 | P 1 21 1 | 14.5894; 11.1597; 20.4193 90; 93.628; 90 | 3317.87 | Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi Structural Revision of Guttiferone F and 30-epi-Cambogin Journal of Natural Products, 2021 |
1560946 | CIF | C35 H40 O10 | P 21 21 21 | 11.3224; 17.2445; 17.924 90; 90; 90 | 3499.6 | Mu, Hongyan; Tang, Shuai; Zuo, Quan; Huang, Min; Zhao, Weimin Dihydro-β-agarofuran-Type Sesquiterpenoids from the Seeds of <i>Celastrus virens</i> and Their Multidrug Resistance Reversal Activity against the KB/VCR Cell Line. Journal of natural products, 2021, 84, 588-600 |
1560947 | CIF | C28 H25 Br O6 | P 21 21 21 | 9.6194; 15.911; 16.492 90; 90; 90 | 2524.2 | Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition Chemical Science, 2021 |
1560948 | CIF | C45 H70 F9 N4 O15 S3 Sm | P 1 21 1 | 10.8034; 13.3417; 21.6804 90; 91.981; 90 | 3123.1 | Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition Chemical Science, 2021 |
1560949 | CIF | C28 H26 O6 | R -3 :H | 34.7546; 34.7546; 9.9252 90; 90; 120 | 10382.3 | Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition Chemical Science, 2021 |
1560950 | CIF | C96 H152 F18 N8 O30 S6 Sm2 | P 1 21 1 | 11.2756; 18.6968; 36.0442 90; 91.416; 90 | 7596.4 | Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition Chemical Science, 2021 |
1560951 | CIF | C88 H136 F18 N8 O30 S6 Sm2 | P 1 21 1 | 13.6883; 20.9229; 21.4877 90; 103.98; 90 | 5971.8 | Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition Chemical Science, 2021 |
1560984 | CIF | C119 H109.1 N12 O23 | C 1 2 1 | 31.9058; 17.2344; 20.9913 90; 102.315; 90 | 11277 | Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence Chemical Science, 2021, 12, 5275-5285 |
1560985 | CIF | C115.5 H108.1 N17 O23.2 | C 1 2 1 | 31.8864; 17.2148; 20.9689 90; 102.403; 90 | 11241.6 | Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence Chemical Science, 2021, 12, 5275-5285 |
1560986 | CIF | C15 H29 N O3 | P 1 21/c 1 | 12.3834; 10.9459; 12.0235 90; 90.342; 90 | 1629.7 | Simlandy, Amit K.; Sardini, Stephen; Brown, M. Kevin Construction of Congested Csp3-Csp3 Bonds by a Formal Ni-Catalyzed Alkylboration Chemical Science, 2021 |
1560987 | CIF | C12 H24 Cl4 N10 O4 Pb | P 1 21/c 1 | 19.052; 7.75; 8.289 90; 93.016; 90 | 1222.2 | Lédée, Ferdinand; Audebert, Pierre; Trippé-Allard, Gaëlle; Galmiche, Laurent; Garrot, Damien; Marrot, Jérôme; Lauret, Jean-Sébastien; Deleporte, Emmanuelle; Katan, Claudine; Even, Jacky; Quarti, Claudio Tetrazine molecules as an efficient electronic diversion channel in 2D organic‒inorganic perovskites Materials Horizons, 2021, 8, 1547-1560 |
1561001 | CIF | C28 H24 N6 O9 | P 21 21 21 | 9.1686; 11.5792; 25.431 90; 90; 90 | 2699.9 | Saha, Monochura; Bandyopadhyay, Subhajit Stimuli Responsive Stable Radical Anion for Conductance Switching The Journal of Physical Chemistry C, 2021, 125, 6427-6432 |
1561002 | CIF | C48.1 H105.26 N4 O24.52 V6 | P 1 21/c 1 | 12.6947; 15.5293; 18.1049 90; 109.99; 90 | 3354.2 | Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M. Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters. Nanoscale, 2021, 13, 6162-6173 |
1561003 | CIF | C25 H51 N3 O23 V6 | P 1 21/n 1 | 13.8593; 17.3129; 17.6954 90; 100.618; 90 | 4173.22 | Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M. Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters. Nanoscale, 2021, 13, 6162-6173 |
1561004 | CIF | C27 H57 O19 P V6 | C 1 2/c 1 | 13.0905; 16.6569; 18.2558 90; 92.394; 90 | 3977.2 | Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M. Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters. Nanoscale, 2021, 13, 6162-6173 |
1561005 | CIF | C46 H99 N3 O19 V6 | P 1 21/n 1 | 18.13612; 16.90558; 19.59064 90; 100.831; 90 | 5899.52 | Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M. Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters. Nanoscale, 2021, 13, 6162-6173 |
1561006 | CIF | C14 H8 Co3 N2 O10 | C 1 2/c 1 | 19.6026; 9.2014; 11.0368 90; 99.434; 90 | 1963.8 | Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G. Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring Chemical Science, 2021, 12, 5682-5687 |
1561007 | CIF | C14 H8 Co3 N2 O10 | C 1 2/c 1 | 18.974; 11.0427; 10.9677 90; 100.796; 90 | 2257.3 | Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G. Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring Chemical Science, 2021, 12, 5682-5687 |
1561008 | CIF | C14 H8 Co3 N2 O10 | C 1 2/c 1 | 19.6011; 9.2018; 11.036 90; 99.435; 90 | 1963.6 | Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G. Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring Chemical Science, 2021, 12, 5682-5687 |
1561009 | CIF | C6 N3 O27 P6 Zn3 | P -1 | 7.4765; 14.1513; 15.0795 115.507; 99.363; 99.595 | 1369.63 | Ma, Nattapol; Kosasang, Soracha; Yoshida, Atsushi; Horike, Satoshi Proton-conductive coordination polymer glass for solid-state anhydrous proton batteries Chemical Science, 2021, 12, 5818-5824 |
1561024 | CIF | C33 H48 I2 N2 O7 Zn2 | P 1 21 1 | 10.3649; 17.385; 10.4787 90; 93.802; 90 | 1884.04 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561025 | CIF | C33 H48 Ca I2 N2 O7 Zn | P b c a | 13.906; 14.3422; 37.8508 90; 90; 90 | 7549.06 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561026 | CIF | C25 H32 Br Li Mg N2 O5 | P 1 21/c 1 | 12.3544; 10.9625; 19.5187 90; 90.048; 90 | 2643.52 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561027 | CIF | C63 H72 Mg3 N6 O12 | P n a 21 | 26.6385; 12.1506; 18.5863 90; 90; 90 | 6015.9 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561028 | CIF | C42 H48 Li4 N4 O8 | P 41 21 2 | 11.2287; 11.2287; 32.691 90; 90; 90 | 4121.8 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561029 | CIF | C25 H32 I Li N2 O5 Zn | P 1 21/c 1 | 12.2484; 11.1331; 19.8508 90; 91.174; 90 | 2706.34 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561030 | CIF | C42 H48 N4 O8 Zn2 | P 1 21/c 1 | 10.7086; 20.5174; 8.9876 90; 98.462; 90 | 1953.19 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561031 | CIF | C25 H30 Cd I2 Mg N4 O4 | P 1 21/c 1 | 10.7707; 17.2439; 19.6341 90; 90.981; 90 | 3646.1 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561032 | CIF | C33 H46 I2 N2 O7 Zn2 | P 1 21 1 | 10.3649; 17.385; 10.4787 90; 93.802; 90 | 1884.04 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561033 | CIF | C29 H40 Cd I2 N2 O6 Zn | P -1 | 10.1985; 10.9552; 15.6105 86.416; 87.592; 73.094 | 1664.95 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561034 | CIF | C33 H48 I N2 Na O7 Zn | P 1 21/c 1 | 21.0024; 10.5844; 15.9024 90; 91.002; 90 | 3534.53 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561035 | CIF | C37 H56 Br2 Mg2 N2 O8 | P 1 21/n 1 | 10.7118; 20.0019; 18.6537 90; 91.671; 90 | 3994.97 | Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K. Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation Catalysis Science & Technology, 2021, 11, 3109-3118 |
1561043 | CIF | C122 H74 B F24 N3 O2 Pd | P -1 | 17.8161; 17.9108; 19.3137 82.81; 78.691; 86.591 | 5992 | Zhang, Yuxing; Jian, Zhongbao Polar Additive Triggered Branching Switch and Block Polyolefin Topology in Living Ethylene Polymerization Macromolecules, 2021 |
1561044 | CIF | C44 H50 F2 N2 O6 S4 | P 21 21 21 | 9.7957; 14.9403; 30.1708 90; 90; 90 | 4415.5 | Karmakar, Ananta; Nimje, Roshan Y.; Silamkoti, Arundutt; Pitchai, Manivel; Basha, Mushkin; Singarayer, Christuraj; Ramasamy, Duraisamy; Babu, G. T. Venkatesh; Samikannu, Ramesh; Subramaniam, Srinath; Anjanappa, Prakash; Vetrichelvan, Muthalagu; Kumar, Hemantha; Dikundwar, Amol G.; Gupta, Anuradha; Gupta, Arun Kumar; Rampulla, Richard; Dhar, T. G. Murali; Mathur, Arvind Practical Synthesis of (3aR, 9bR)-8-Fluoro-7-(perfluoropropan-2-yl)-9b-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole: An Advanced Intermediate to Access the RORγt Inverse Agonist BMT-362265 Organic Process Research & Development, 2021 |
1561045 | CIF | C25 H23 N3 O2 | P -1 | 7.7539; 10.3038; 13.462 107.202; 98.294; 96.619 | 1002.39 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561046 | CIF | C25 H22 N2 O2 | P 1 21/c 1 | 9.5752; 12.0481; 17.8268 90; 101.373; 90 | 2016.17 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561047 | CIF | C44.5 H45 Cl N4 O6 | P -1 | 12.3351; 13.1435; 13.7758 93.491; 101.268; 116.875 | 1925.16 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561048 | CIF | C19 H17 N3 O | P 1 21/c 1 | 8.5899; 18.3551; 10.2741 90; 102.416; 90 | 1582.02 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561049 | CIF | C19 H20 N2 O | P -1 | 8.5841; 10.1481; 10.2458 112.745; 103.325; 99.118 | 769.88 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561050 | CIF | C25 H21 Br N2 O2 | P 21 21 21 | 9.8948; 10.3781; 20.5618 90; 90; 90 | 2111.5 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561051 | CIF | C22 H22.3 N2 O3.15 | P 1 21/c 1 | 20.9936; 10.3069; 17.309 90; 99.457; 90 | 3694.4 | Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A. Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones Chemical Science, 2021 |
1561085 | CIF | C27 H29 B O | P 1 c 1 | 16.902; 9.4331; 15.2863 90; 113.371; 90 | 2237.26 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561086 | CIF | C28 H32 B N | P 21 21 21 | 9.3999; 11.8608; 20.7807 90; 90; 90 | 2316.8 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561087 | CIF | C16 H10 B2 O2 | P 1 21/n 1 | 7.9871; 4.6704; 16.324 90; 101.395; 90 | 596.93 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561088 | CIF | C51 H58 B2 O3 | C 1 2/c 1 | 33.3265; 6.9745; 23.9282 90; 125.567; 90 | 4524.1 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561089 | CIF | C28 H32 B4 O6 | P 42/n :2 | 19.5614; 19.5614; 6.7125 90; 90; 90 | 2568.5 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561090 | CIF | C32.5 H34.5 B O | P -1 | 12.8766; 14.0599; 15.4098 96.874; 102.28; 90.643 | 2704.5 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561091 | CIF | C31 H30 B F3 O2 | C 1 2/c 1 | 35.674; 10.716; 29.67 90; 98.307; 90 | 11223.3 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561092 | CIF | C31 H28 Br F3 | P b c a | 19.2423; 10.9228; 26.3907 90; 90; 90 | 5546.8 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561093 | CIF | C37 H42 B F3 O2 | C 1 2/c 1 | 32.1592; 9.1287; 24.8768 90; 112.858; 90 | 6729.6 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561094 | CIF | C32 H34 B N | P 1 21/n 1 | 14.4318; 9.4346; 19.482 90; 91.219; 90 | 2652 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561095 | CIF | C48 H52 B2 O2 | P -1 | 8.5512; 11.0326; 12.6835 67.901; 89.033; 67.825 | 1015.7 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561096 | CIF | C27 H29 B O | P b c a | 23.7421; 21.8444; 8.6139 90; 90; 90 | 4467.4 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561097 | CIF | C22 H19 Br | P 1 21/c 1 | 26.944; 6.2564; 22.5176 90; 113.082; 90 | 3492 | Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science, 2021, 12, 5898-5909 |
1561098 | CIF | C10 H17 Am N2 O11 | P 1 21/n 1 | 6.7963; 15.0543; 20.4812 90; 97.297; 90 | 2078.53 | Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H. Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry Chemical Science, 2021, 12, 5638-5654 |
1561099 | CIF | C10 H25 Cm N2 O11 | P 1 21/n 1 | 6.7801; 15.0056; 20.489 90; 97.24; 90 | 2067.92 | Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H. Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry Chemical Science, 2021, 12, 5638-5654 |
1561100 | CIF | C10 H17 Eu N2 O11 | P 1 21/n 1 | 6.7137; 14.8928; 20.2772 90; 97.157; 90 | 2011.6 | Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H. Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry Chemical Science, 2021, 12, 5638-5654 |
1561101 | CIF | C56 H46 N4 O8 | P 1 21/n 1 | 9.0183; 10.8486; 22.331 90; 92.992; 90 | 2181.8 | Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit Chemical Science, 2021, 12, 5621-5630 |
1561102 | CIF | C56 H45 N4 O8.5 Ti0.5 | P 1 21/n 1 | 9.4036; 10.8957; 22.319 90; 90.524; 90 | 2286.7 | Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit Chemical Science, 2021, 12, 5621-5630 |
1561103 | CIF | C56 H44 N4 O9 V | P 1 21/n 1 | 9.3937; 10.8559; 22.317 90; 93.508; 90 | 2271.6 | Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit Chemical Science, 2021, 12, 5621-5630 |
1561104 | CIF | C40 H26 | P 1 21/n 1 | 8.1285; 22.6403; 14.3177 90; 90.586; 90 | 2634.77 | Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption Polymer Chemistry, 2021, 12, 2282-2292 |
1561105 | CIF | C60 H50 | P -1 | 12.906; 17.5583; 22.216 92.437; 94.87; 90.603 | 5011.1 | Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption Polymer Chemistry, 2021, 12, 2282-2292 |
1561127 | CIF | Na Ni O6 Pr W | P 1 21 1 | 5.4858; 5.4827; 7.81681 90; 90.123; 90 | 235.11 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561128 | CIF | Na Nd Ni O6 W | P 1 21 1 | 5.45987; 5.4814; 7.81308 90; 90.164; 90 | 233.827 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561129 | CIF | Gd Na Ni O6 W | P 1 21 1 | 5.37618; 5.48688; 7.78128 90; 90.2441; 90 | 229.534 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561130 | CIF | Na Ni O6 Sm W | P 1 21 1 | 5.41399; 5.47939; 7.7985 90; 90.2542; 90 | 231.343 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561131 | CIF | Na Ni O6 Tb W | P 1 21 1 | 5.35966; 5.48918; 7.77309 90; 90.2581; 90 | 228.683 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561132 | CIF | Eu Na Ni O6 W | P 1 21 1 | 5.39582; 5.48536; 7.79284 90; 90.2646; 90 | 230.65 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561133 | CIF | La Na Ni O6 W | P 1 21 1 | 5.5156; 5.5153; 7.83952 90; 90.137; 90 | 238.48 | P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A. Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb) The Journal of Physical Chemistry C, 2021, 125, 6749-6757 |
1561134 | CIF | C20 H21 I N2 O3 | P 1 21 1 | 13.465; 9.554; 15.7286 90; 93.8204; 90 | 2018.9 | su, guanglong; Thompson, Connor J.; Yamazaki, Ken; Rozsar, Daniel; Christensen, Kirsten; Hamlin, Trevor A.; Dixon, Darren A Bifunctional Iminophosphorane Squaramide Catalyzed Enantioselective Synthesis of Hydroquinazolines via Intramolecular Aza-Michael Reaction to α,β-Unsaturated Esters Chemical Science, 2021 |
1561172 | CIF | C38 H25 N1.75 O2 S | P -1 | 9.341; 11.8743; 14.2 103.803; 92; 108.233 | 1442.47 | Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity Chemical Science, 2021 |
1561173 | CIF | C36 H25 N O S | P 1 21/c 1 | 13.577; 9.7186; 21.3735 90; 102.957; 90 | 2748.41 | Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity Chemical Science, 2021 |
1561174 | CIF | C37 H21 Cl4 N O2 S | P -1 | 9.0387; 12.2872; 15.4499 70.572; 83.642; 86.486 | 1607.7 | Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity Chemical Science, 2021 |
1561175 | CIF | Ca0.94 Ce0.04 Fe0.11 Na0.02 Nb0.13 O3 Ti0.76 | P b n m | 5.403; 5.4723; 7.6781 90; 90; 90 | 227.017 | Kitahara, G.; Yoshiasa, A.; Tokuda, M.; Tobase, T.; Sugiyama, K. XANES analyses on minor elements and X-ray single crystal structure analyses of Ce- and Nb-perovskite Journal of Mineralogical and Petrological Sciences, 2021, 116, 45-55 |
1561176 | CIF | Ca0.83 Ce0.09 Fe0.02 Na0.08 Nb0.02 O3 Ti0.96 | P b n m | 5.4158; 5.4838; 7.7039 90; 90; 90 | 228.8 | Kitahara, G.; Yoshiasa, A.; Tokuda, M.; Tobase, T.; Sugiyama, K. XANES analyses on minor elements and X-ray single crystal structure analyses of Ce- and Nb-perovskite Journal of Mineralogical and Petrological Sciences, 2021, 116, 45-55 |
1561177 | CIF | C53.5 H84 Ge2 N4 Si3 | P -1 | 11.7931; 14.429; 17.6548 92.7304; 91.345; 111.889 | 2781.69 | Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene Chemical Science, 2021 |
1561178 | CIF | C52 H88 Ge2 N4 O2 Si3 | P -1 | 14.5456; 14.7302; 15.0458 70.717; 84.15; 76.059 | 2952.3 | Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene Chemical Science, 2021 |
1561179 | CIF | C73 H113.5 Ge2 N4 O1.75 Si6 | P -1 | 11.9129; 15.088; 22.7675 76.4735; 84.561; 80.734 | 3919.9 | Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene Chemical Science, 2021 |
1561180 | CIF | C84 H108 O16 Se4 Te2 | P 1 21/n 1 | 18.8279; 27.9082; 32.268 90; 106.815; 90 | 16230 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561181 | CIF | C42 H54 Cl2 O7 Se2 Te | P -1 | 9.902; 14.643; 16.12 106.116; 104.058; 96.56 | 2136.4 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561182 | CIF | C98 H124 Cl2 O17 Te2 | C 1 2/c 1 | 37.942; 17.3698; 29.2185 90; 105.56; 90 | 18550.6 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561183 | CIF | C84 H116 O16 Te2 | C 1 2/c 1 | 39.1328; 20.3253; 29.544 90; 136.459; 90 | 16187.8 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561184 | CIF | C84 H108 O16 S4 Te2 | P -1 | 19.1567; 35.2402; 49.703 97.646; 90.535; 92.72 | 33214 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561185 | CIF | C42 H54 Cl2 O7 S2 Te | P -1 | 9.8421; 14.6373; 16.1252 107.209; 103.814; 97.239 | 2105.86 | Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone Chemical Science, 2021, 12, 5811-5817 |
1561186 | CIF | C72 H162 K N O24 Si6 U2 | P 1 21/c 1 | 14.21; 28.1537; 27.91 90; 104.632; 90 | 10804 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561187 | CIF | C73 H162 K2 N2 O24 S2 Si6 U2 | P 1 21 1 | 13.9065; 18.2338; 22.181 90; 92.45; 90 | 5619.3 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561188 | CIF | C73 H162 K2 N2 O26 Si6 U2 | P 1 21 1 | 13.9377; 17.9175; 22.0849 90; 92.306; 90 | 5510.8 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561189 | CIF | C79 H172 K2 N2 O24 Si6 U2 | P 1 21/n 1 | 14.4207; 17.5321; 21.9098 90; 91.84; 90 | 5536.5 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561190 | CIF | C72 H162 K2 N4 O24 Si6 U2 | P 1 21/n 1 | 14.382; 17.661; 21.819 90; 92.012; 90 | 5538.6 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561191 | CIF | C81 H170 K2 N2 O26 Si6 U2 | P 1 21 1 | 13.9927; 18.2874; 22.208 90; 93.321; 90 | 5673.3 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1561223 | CIF | C52 H62 Ca O4 Sn2 | C 1 2/c 1 | 16.2273; 15.8447; 18.9351 90; 98.715; 90 | 4812.3 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561224 | CIF | C34 H86 Ca O4 Si6 Sn2 | P 1 21/c 1 | 20.9784; 13.237; 20.0226 90; 105.698; 90 | 5352.7 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561225 | CIF | C52 H62 O4 Sn2 Sr | C 1 2/c 1 | 16.3942; 15.957; 19.01 90; 99.049; 90 | 4911.2 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561226 | CIF | C38 H94 Ba O5 Si6 Sn2 | C 1 2/c 1 | 19.499; 17.117; 34.898 90; 91.768; 90 | 11642 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561227 | CIF | C34 H86 O4 Si6 Sn2 Sr | P 1 21/c 1 | 40.215; 13.1722; 20.52 90; 93.183; 90 | 10853 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561228 | CIF | C116 H148 Ba2 O11 Sn4 | P c a 21 | 17.2099; 35.155; 18.6605 90; 90; 90 | 11289.9 | Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann Metal‒metal bonded alkaline-earth distannyls Chemical Science, 2021, 12, 7098-7114 |
1561229 | CIF | C40 H34 Br2 N2 O2 S2 | P -1 | 7.845; 10.433; 15.69 73.92; 89.21; 70.37 | 1157.8 | Yang, Wei; Sun, Mingxiang; Wang, Yue; Yan, Hui; Zhang, Guobing; Zhang, Qing Bis-isatin based polymers with tunable energy levels for organic field-effect transistor applications Polymer Chemistry, 2021, 12, 2317-2324 |
1561232 | CIF | C25 H18 N2 O7 Zn | P 1 21/c 1 | 11.7505; 15.3185; 12.9694 90; 109.03; 90 | 2206.91 | Tian, Li; Xu, Xuebin; Liu, Meiying; Liu, Zixin; Liu, Zhiliang Significantly Enhancing the Lithium Ionic Conductivity of Metal‒Organic Frameworks via a Postsynthetic Modification Strategy Langmuir, 2021 |
1561233 | CIF | C36 H48 N2 O4 S4 | P -1 | 9.629; 14.535; 19.083 85.137; 89.812; 83.002 | 2641.3 | Teshima, Yoshikazu; Saito, Masahiko; Mikie, Tsubasa; Komeyama, Kimihiro; Osaka, Itaru Bithiazole Dicarboxylate Ester: An Easily Accessible Electron-Deficient Building Unit for π-Conjugated Polymers Enabling Electron Transport Macromolecules, 2021 |
1561273 | CIF | C16 H40 Cl7 In N4 O0 S4 | C 1 2/c 1 | 20.9774; 10.1284; 14.5479 90; 99.752; 90 | 3046.3 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561274 | CIF | C12 H27 Cl5 In N2 O S2 | P 1 21/n 1 | 11.7611; 12.5257; 15.0163 90; 96.853; 90 | 2196.34 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561275 | CIF | C14 H36 Cl6 In N3 O S3 | P -1 | 7.7233; 11.6526; 15.1865 82.98; 87.09; 88.651 | 1354.53 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561276 | CIF | C16 H40 Cl7 In0.93 N4 S4 Sb0.07 | C 1 2/c 1 | 21.0254; 10.1582; 14.5931 90; 99.846; 90 | 3070.9 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561277 | CIF | C15 H17 N O S | P 1 21/c 1 | 8.8398; 22.2474; 7.025 90; 105.163; 90 | 1333.46 | Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes Chemical Science, 2021 |
1561278 | CIF | C15 H16 I N O S | P 1 21 1 | 8.587; 6.1553; 14.6215 90; 99.114; 90 | 763.07 | Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes Chemical Science, 2021 |
1561279 | CIF | C17 H23 N O2 Si | P n a 21 | 30.9518; 6.9485; 15.9226 90; 90; 90 | 3424.45 | Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes Chemical Science, 2021 |
1561308 | CIF | C26 H36 O15 | P 1 21 1 | 10.648; 6.3182; 20.729 90; 95.88; 90 | 1387.2 | Sun, Meng; Guo, Brian; Xu, Mingming; Zhao, Ming; Onakpa, Monday M.; Wu, Zhenlong; Burdette, Joanna E.; Che, Chun-Tao (9βH)- and 17-Nor-Pimaranes from Icacina oliviformis Journal of Natural Products, 2021 |
1561309 | CIF | C18 H13 N3 O4 | C 1 2/c 1 | 24.705; 8.3362; 20.825 90; 131.76; 90 | 3199.2 | Xu, Wei-Feng; Chao, Rong; Hai, Yang; Guo, Yang-Yang; Wei, Mei-Yan; Wang, Chang-Yun; Shao, Chang-Lun 17-Hydroxybrevianamide N and Its N1-Methyl Derivative, Quinazolinones from a Soft-Coral-Derived <i>Aspergillus</i> sp. Fungus: 13<i>S</i> Enantiomers as the True Natural Products. Journal of natural products, 2021 |
1561310 | CIF | C19 H17 N3 O5 | P -1 | 8.3911; 8.8058; 13.4606 95.446; 105.411; 114.671 | 846.93 | Xu, Wei-Feng; Chao, Rong; Hai, Yang; Guo, Yang-Yang; Wei, Mei-Yan; Wang, Chang-Yun; Shao, Chang-Lun 17-Hydroxybrevianamide N and Its N1-Methyl Derivative, Quinazolinones from a Soft-Coral-Derived <i>Aspergillus</i> sp. Fungus: 13<i>S</i> Enantiomers as the True Natural Products. Journal of natural products, 2021 |
1561311 | CIF | C17 H12 Br F2 N O2 | P -1 | 4.7731; 11.3543; 14.65 67.712; 85.665; 88.114 | 732.53 | Häfliger, Joel; Livingstone, Keith; Daniliuc, Constantin; Gilmour, Ryan Difluorination of α-(Bromomethyl)styrenes via I(I)/I(III) Catalysis: Facile Access to Electrophilic Linchpins for Drug Discovery Chemical Science, 2021 |
1561312 | CIF | C21 H21 N O2 S | P 21 21 21 | 6.5212; 19.52; 27.5641 90; 90; 90 | 3508.7 | Duan, Shengzu; Deng, Guogang; Zi, Yujin; Wu, Xiaomei; Tian, Xun; Liu, Zhengfen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick Nickel-Catalyzed Enantioselective Vinylation of Aryl 2-Azaallyl Anions Chemical Science, 2021 |
1561313 | CIF HKL Paper | C19 H18 O3 | P 21 21 21 | 7.9229; 9.4474; 20.875 90; 90; 90 | 1562.5 | Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G. (2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one IUCrData, 2021, 6, x210309 |
1561346 | CIF | C29 H21 F3 N2 | P 1 21/n 1 | 9.4838; 10.8493; 22.4754 90; 94.262; 90 | 2306.16 | Hu, Weigao; Zhan, Qiangqiang; Zhou, Hongwei; Cao, Shanshan; Jiang, Zhiyong Radical-based functionalization-oriented construction: rapid assembly of azaarene-substituted highly functionalized pyrroles Chemical Science, 2021 |
1561376 | CIF | C23 H27 F2 N5 O2 | C 1 2 1 | 36.459; 8.6753; 13.8617 90; 98.333; 90 | 4338.1 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
1561377 | CIF | C23 H28 F N5 O2 | P -1 | 9.8391; 11.1859; 11.8823 72.632; 89.776; 64.843 | 1118.23 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
1561396 | CIF | C17 H20 Cl N O3 S | P 1 21/n 1 | 6.8411; 15.3599; 17.0637 90; 100.751; 90 | 1761.56 | Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways Chemical Science, 2021 |
1561397 | CIF | C19 H14 F3 N O2 S | P 1 21/c 1 | 15.1971; 15.1809; 7.5348 90; 97.371; 90 | 1724 | Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways Chemical Science, 2021 |
1561398 | CIF HKL Paper | C24 H22 N2 O5 | P 21 21 2 | 37.196; 4.8441; 5.584 90; 90; 90 | 1006.13 | El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate IUCrData, 2021, 6, x210314 |
1561399 | CIF HKL Paper | H20 I14 O10 Ta6 | P -1 | 10.009; 10.118; 10.498 117.451; 97.465; 96.344 | 917.7 | Schröder, Florian; Köckerling, Martin Hexaaquadodeca-μ2-iodido-octahedro-hexatantalum diiodide tetrahydrate IUCrData, 2021, 6 |
1561440 | CIF | C38 H48 O4 | P 65 2 2 | 12.3525; 12.3525; 79.6448 90; 90; 120 | 10524.4 | Lu, Wei-Jia; Xu, Wen-Jun; Zhang, Mei-Hui; Zhang, Yan-Qiu; Li, Yi-Ran; Zhang, Hao; Luo, Jun; Kong, Ling-Yi Diverse Polycyclic Polyprenylated Acylphloroglucinol Congeners with Anti-Nonalcoholic Steatohepatitis Activity from <i>Hypericum forrestii</i>. Journal of natural products, 2021 |
1561441 | CIF | C60 H90 Al6 Cu8 | C 1 2/m 1 | 19.603; 17.296; 12.944 90; 123.107; 90 | 3676.2 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1561442 | CIF | C30 H45 Al Cu2 | P -1 | 10.6817; 10.6837; 15.0961 75.703; 72.18; 60.202 | 1413.85 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1561443 | CIF | C60 H90 Al6 Cu7.33 | I 1 2/m 1 | 12.9999; 17.2545; 16.5285 90; 97.741; 90 | 3673.7 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1561444 | CIF | C59 H86 Al4 Cu4 | P 1 21/n 1 | 14.6563; 25.306; 19.6043 90; 92.589; 90 | 7263.7 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1561445 | CIF | C48 H48 N6 | P 1 21/c 1 | 11.9199; 6.4841; 24.7395 90; 91.495; 90 | 1911.5 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561446 | CIF | C38 H24 N6 | P 1 21/n 1 | 6.429; 14.653; 15.517 90; 94.96; 90 | 1456.3 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561447 | CIF | C43 H36 N6 | P -1 | 6.326; 15.778; 16.684 81.36; 89.31; 88.89 | 1646 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561448 | CIF | C40 H26 Cl6 N6 | P -1 | 11.6072; 11.69065; 15.3099 100.114; 104.457; 112.643 | 1768.75 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561449 | CIF | C38 H24 N6 | P 1 21/n 1 | 9.244; 6.649; 24.353 90; 98.58; 90 | 1480.1 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561450 | CIF | C38 H24 N6 | P -1 | 6.326; 15.778; 16.684 81.36; 89.31; 88.89 | 1646 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561451 | CIF | C38 H24 N6 | P 1 21/c 1 | 11.9199; 6.4841; 24.7395 90; 91.495; 90 | 1911.5 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561452 | CIF | C55.6 H34.6 Cl4.8 N9 | P -1 | 11.7152; 12.5774; 17.5509 99.811; 93.572; 101.07 | 2488.73 | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions Chemical Science, 2021 |
1561472 | CIF | C223 H104 Dy3 N20 | P 1 21/c 1 | 14.761; 32.102; 32.24 90; 101.88; 90 | 14949.9 | Yang, Shangfeng; Jin, Fei; Xin, Jinpeng; Guan, Runnan; Xie, Xiao-Ming; Chen, Muqing; Zhang, Qianyan; Popov, Alexey A.; Xie, Su-Yuan Stabilizing Three-Center Single-Electron Metal-Metal Bond in a Fullerene Cage Chemical Science, 2021 |
1561473 | CIF | C328 H616 N40 O216 P8 S0 V48 | P 1 21/n 1 | 24.986; 41.24; 25.1687 90; 108.986; 90 | 24524 | Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra. Chemical science, 2021, 12, 7361-7368 |
1561474 | CIF | C369 H665 N31 O227 P8 S0 V48 | P 1 21/n 1 | 24.986; 42.565; 25.2167 90; 109.572; 90 | 25269 | Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra. Chemical science, 2021, 12, 7361-7368 |
1561475 | CIF | C309 H610 Cl N23 O245 P8 V56 | C 1 2/m 1 | 39.096; 26.059; 29.242 90; 113.642; 90 | 27291 | Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra. Chemical science, 2021, 12, 7361-7368 |
1561476 | CIF | C156 H297 N11 O106 P4 S0 V24 | P 1 21/m 1 | 27.776; 32.56; 36.61 90; 105.89; 90 | 31844 | Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra. Chemical science, 2021, 12, 7361-7368 |
1561477 | CIF | C32 H60 N12 O16 Zn2 | P 31 2 1 | 8.9788; 8.9788; 44.4258 90; 90; 120 | 3101.72 | ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi Crystal Structure of [1<sup>1</sup>,1<sup>4</sup>,1<sup>7</sup>,1<sup>10</sup>,5<sup>1</sup>,5<sup>4</sup>,5<sup>7</sup>,5<sup>10</sup>-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)](NO<sub>3</sub>)<sub>4</sub> X-ray Structure Analysis Online, 2021, 37, 15-16 |
1561478 | CIF | C32.25 H40.75 Cl2 Co2 N6.25 O12.75 | P 1 21/c 1 | 10.4372; 27.8578; 13.5496 90; 102.812; 90 | 3841.6 | SHINDE, Naho; HANDA, Ryunosuke; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu Synthesis and Crystal Structure of (μ-Acetato)bis(μ-Alkoxo)dicobalt(II, III) Complex with an Unsymmetric Dinucleating Ligand X-ray Structure Analysis Online, 2021, 37, 13-14 |
1561479 | CIF | C30 H25 Cl O Si2 | P 1 21/n 1 | 10.6741; 14.2858; 17.5012 90; 99.597; 90 | 2631.37 | Bauer, Jonathan O.; Götz, Tobias Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane Chemistry, 2021, 3, 444-453 |
1561513 | CIF | C23 H37 Cl N P2 Rh S2 | P 1 21/c 1 | 18.425; 8.8088; 17.927 90; 113.42; 90 | 2669.89 | Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights Catalysis Science & Technology, 2021, 11, 3514-3526 |
1561514 | CIF | C18 H32 Cl P2 Rh S2 | P 1 21/c 1 | 11.1268; 11.9807; 17.1003 90; 92.141; 90 | 2278 | Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights Catalysis Science & Technology, 2021, 11, 3514-3526 |
1561515 | CIF | C35 H29 Cl N P2 Rh S2 | P 1 21/n 1 | 9.2984; 15.248; 22.7278 90; 100.479; 90 | 3168.65 | Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights Catalysis Science & Technology, 2021, 11, 3514-3526 |
1561516 | CIF | C66 H78 N4 O4 Pt2 | P 1 21/c 1 | 13.3643; 21.517; 20.834 90; 94.905; 90 | 5969.1 | Pander, Piotr; Daniels, Ruth; Zaytsev, Andrey V.; Horn, Ashleigh; Sil, Amit; Penfold, Thomas J.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Dias, Fernando B. Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence. Chemical science, 2021, 12, 6172-6180 |
1561547 | CIF | C52.5 H100 B Ge9 K N2 O Si8 | P -1 | 14.7094; 16.9327; 18.7377 65.966; 67.528; 88.951 | 3886.2 | Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs Chemical Science, 2021 |
1561548 | CIF | C47 H91 B Ge9 K N3 Si8 | P 1 21 1 | 13.7573; 9.2613; 28.4239 90; 94.438; 90 | 3610.6 | Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs Chemical Science, 2021 |
1561549 | CIF | C48 H94 B Ge9 K N2 O Si8 | P -1 | 14.6663; 15.46; 18.0618 65.417; 82.365; 88.648 | 3688.8 | Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs Chemical Science, 2021 |
1561550 | CIF | C62 H114 B Ge9 K N2 O Si8 | P -1 | 16.4024; 16.8409; 17.5417 92.419; 107.892; 102.92 | 4462.2 | Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs Chemical Science, 2021 |
1561583 | CIF | C52 H28 N4 | P -1 | 10.5126; 13.2993; 13.3298 88.442; 84.692; 69.641 | 1739.7 | Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B. "Broken-hearted" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling. Chemical science, 2021, 12, 6600-6606 |
1561584 | CIF | C28 H14 N4 | P 1 21/n 1 | 6.9885; 10.0688; 14.6611 90; 103.589; 90 | 1002.76 | Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B. "Broken-hearted" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling. Chemical science, 2021, 12, 6600-6606 |
1561585 | CIF | C19 H16 | P 21 21 21 | 5.0524; 15.7417; 15.791 90; 90; 90 | 1255.91 | Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B. "Broken-hearted" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling. Chemical science, 2021, 12, 6600-6606 |
1561586 | CIF | C19 H12 | P 1 21/c 1 | 18.41; 11.5059; 12.1836 90; 109.148; 90 | 2438 | Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B. "Broken-hearted" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling. Chemical science, 2021, 12, 6600-6606 |
1561587 | CIF | C21 H20 | P n a 21 | 9.8601; 9.0281; 16.8983 90; 90; 90 | 1504.25 | Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B. "Broken-hearted" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling. Chemical science, 2021, 12, 6600-6606 |
1561588 | CIF | C3 Cs2 K0.5 O68 P2 W18 | P 63 2 2 | 17.209; 17.209; 28.557 90; 90; 120 | 7324.1 | Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives. Nanoscale, 2021, 13, 8049-8057 |
1561589 | CIF | Cs5 O62 P2 W18 | P m m n :2 | 24.1713; 16.5887; 12.6541 90; 90; 90 | 5073.9 | Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives. Nanoscale, 2021, 13, 8049-8057 |
1561590 | CIF | Cs5 O62 P2 W18 | P 1 21/c 1 | 17.261; 30.571; 28.331 90; 105.688; 90 | 14393 | Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives. Nanoscale, 2021, 13, 8049-8057 |
1561633 | CIF HKL Paper | C14 H12 N4 O3 S | P 1 21/n 1 | 5.4887; 9.247; 27.457 90; 94.75; 90 | 1388.8 | Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima 5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione IUCrData, 2021, 6 |
1561634 | CIF HKL Paper | C16 H12 Cl4 N2 O4 | P 1 21/c 1 | 9.7398; 4.654; 20.1866 90; 100.842; 90 | 898.71 | El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide IUCrData, 2021, 6, x210318 |
1561635 | CIF HKL Paper | C22 H20 O3 | P b c a | 8.1123; 15.8713; 27.6155 90; 90; 90 | 3555.6 | Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav 4-(Diphenylmethoxy)-3-ethoxybenzaldehyde IUCrData, 2021, 6, x210356 |
1561636 | CIF HKL Paper | C8 H11 N O2 S | P -1 | 7.664; 9.876; 13.018 91.602; 104.301; 101.729 | 931.7 | Khanum, Ghazala; Fatima, Aysha; Sharma, Pooja; Srivastava, S. K.; Butcher, Ray J. Ethyl 2-amino-4-methylthiophene-3-carboxylate IUCrData, 2021, 6, x210351 |
1561637 | CIF HKL Paper | C11 H15 Br N2 O2 | P 1 21 1 | 6.0518; 27.7837; 6.9028 90; 90.497; 90 | 1160.6 | Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav 4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol IUCrData, 2021, 6, x210335 |
1561638 | CIF | C30 H42 O4 | P 1 21/c 1 | 12.4055; 22.5129; 9.4377 90; 91.882; 90 | 2634.37 | Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity Chemical Science, 2021 |
1561639 | CIF | C21 H30 O3 | P b c a | 15.257; 9.9205; 23.3519 90; 90; 90 | 3534.5 | Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity Chemical Science, 2021 |
1561640 | CIF | C21 H30 O3 | P b c a | 7.7751; 11.2883; 41.1933 90; 90; 90 | 3615.44 | Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity Chemical Science, 2021 |
1561641 | CIF | C21 H30 O3 | P -1 | 6.0339; 11.8215; 13.8305 110.674; 101.373; 97.79 | 881.95 | Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity Chemical Science, 2021 |
1561642 | CIF | C21 H30 O3 | P -1 | 14.5922; 15.5056; 17.9599 104.166; 110.403; 98.982 | 3560.15 | Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity Chemical Science, 2021 |
1561668 | CIF | C80 H96 K4 O8 | C 1 2/c 1 | 22.33; 10.12; 31.991 90; 99.196; 90 | 7136 | Rogachev, Andrey Yu.; Zhou, Zheng; Liu, Shuyang; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A. Stretching [8]cycloparaphenylene with encapsulated potassium cations: structural and theoretical insights into core perturbation upon four-fold reduction and complexation Chemical Science, 2021 |
1561669 | CIF | As4 K5 Na O170 Ru4 W40 | I -4 | 19.6886; 19.6886; 26.1118 90; 90; 90 | 10122 | Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions. Nanoscale, 2021, 13, 8077-8086 |
1561670 | CIF | As4 Cl2 K Na12 O179.5 W40 | P -1 | 19.178; 19.677; 30.803 94.414; 98.453; 116.279 | 10176 | Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions. Nanoscale, 2021, 13, 8077-8086 |
1561699 | CIF | C14 H21 N O5 S | P 1 21/c 1 | 26.9877; 5.7256; 9.8987 90; 90.078; 90 | 1529.55 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561700 | CIF | C13 H17 N O3 S | P 1 21/c 1 | 23.1972; 6.10055; 9.242 90; 90.2932; 90 | 1307.87 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561701 | CIF | C26 H33 N O9 S | C 1 2 1 | 22.5244; 10.26708; 12.02634 90; 96.6693; 90 | 2762.39 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561702 | CIF | C10 H17 F2 N O3 S | P 1 21/c 1 | 11.83783; 10.04452; 10.01996 90; 96.4304; 90 | 1183.93 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561703 | CIF | C9 H17 N O4 S | P 1 21/c 1 | 18.4344; 6.101; 9.7772 90; 91.605; 90 | 1099.19 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561704 | CIF | C14 H25 N O2 S | P 1 21/n 1 | 6.4731; 19.8101; 11.0428 90; 94.993; 90 | 1410.68 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561705 | CIF | C12 H17 N O3 S | P 1 21/n 1 | 5.4965; 24.4849; 9.7713 90; 105.544; 90 | 1266.94 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561706 | CIF | C9 H11 N3 O3 S2 | P -1 | 5.4957; 5.8614; 18.6487 83.542; 88.913; 82.753 | 592.13 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561707 | CIF | C17 H23 N O2 S | P 1 21/n 1 | 14.0325; 6.2686; 18.2532 90; 110.571; 90 | 1503.25 | Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides Chemical Science, 2021 |
1561708 | CIF HKL Paper | C16 H15 Cl2 N5 O7 | P 1 21/n 1 | 7.9855; 13.5742; 17.6103 90; 91.463; 90 | 1908.3 | Sathya, Udhayasuriyan; Nirmal Ram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Ramu, Shyamaladevi; Jegan Jennifer, Samson; Ibrahim, Abdul Razak 4-(2,3-Dichlorophenyl)piperazin-1-ium picrate IUCrData, 2021, 6, x210379 |
1561776 | CIF | C35 H32 B Cl2 Cu N4 P2 S | P 1 21/c 1 | 9.4427; 38.5575; 9.5037 90; 94.951; 90 | 3447.26 | Yu, Xiao; Li, Xiaoyue; Cai, Zelun; Sun, Lingzhi; Wang, Chengbo; Rao, Haixia; Wei, Chen; Bian, Zuqiang; Jin, Qionghua; Liu, Zhiwei Mechanochromic properties in a mononuclear Cu(I) complex without cuprophilic interactions. Chemical communications (Cambridge, England), 2021, 57, 5082-5085 |
1561777 | CIF | C35 H32 B Cl2 Cu N4 P2 S | P 1 21 1 | 11.20173; 8.45092; 18.9038 90; 96.6573; 90 | 1777.46 | Yu, Xiao; Li, Xiaoyue; Cai, Zelun; Sun, Lingzhi; Wang, Chengbo; Rao, Haixia; Wei, Chen; Bian, Zuqiang; Jin, Qionghua; Liu, Zhiwei Mechanochromic properties in a mononuclear Cu(I) complex without cuprophilic interactions. Chemical communications (Cambridge, England), 2021, 57, 5082-5085 |
1561778 | CIF | C21 H28 F3 N3 O3 | C 1 2/c 1 | 52.9651; 8.6539; 19.4197 90; 91.443; 90 | 8898.3 | Jiang, Tuo; Bordi, Samuele; McMillan, Angus Erland; Chen, Kuang-Yen; Saito, Fumito; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. An Integrated Console for Capsule-Based, Automated Organic Synthesis Chemical Science, 2021 |
1561779 | CIF | C21 H28 F3 N3 O3 | P -1 | 8.725; 11.2299; 12.2001 79.147; 80.009; 73.949 | 1118.85 | Jiang, Tuo; Bordi, Samuele; McMillan, Angus Erland; Chen, Kuang-Yen; Saito, Fumito; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. An Integrated Console for Capsule-Based, Automated Organic Synthesis Chemical Science, 2021 |
1561780 | CIF | C17 H22 Cu N4 O6.5 | P 1 21 1 | 8.984; 17.472; 12.48 90; 99.44; 90 | 1932.4 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561781 | CIF | C38 H32 O8 | P -1 | 9.1526; 13.794; 15.1145 107.493; 92.096; 102.376 | 1767.2 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561782 | CIF | C41 H37 N O6 | P -1 | 9.4795; 13.3263; 26.101 94.943; 98.261; 98.981 | 3203.1 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561783 | CIF | C38 H28 O8 | P -1 | 9.7076; 11.8242; 12.4785 87.701; 78.041; 89.185 | 1400.1 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561784 | CIF | C38 H30 O8 | P 1 21/c 1 | 13.107; 13.566; 32.525 90; 90.549; 90 | 5783 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561785 | CIF | C45 H37 Cl2 O6 P S | P -1 | 12.2704; 12.9162; 14.0637 105.461; 91.247; 115.181 | 1920.6 | Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes New Journal of Chemistry, 2021, 45, 8118-8124 |
1561832 | CIF | C39 H50 Gd2 N11 O14.5 | P 41 21 2 | 17.6388; 17.6388; 29.2421 90; 90; 90 | 9098 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561833 | CIF | C39 H53 N11 O16 Y2 | P 43 21 2 | 17.6029; 17.6029; 29.0488 90; 90; 90 | 9001.1 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561834 | CIF | C39 H50 Lu2 N11 O14.5 | P 43 21 2 | 17.5856; 17.5856; 28.9382 90; 90; 90 | 8949.2 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561835 | CIF | C39 H50 Lu N11 O14.5 Yb | P 43 21 2 | 17.5896; 17.5896; 28.9543 90; 90; 90 | 8958.3 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561836 | CIF | C39 H50 Gd N11 O14.5 Yb | P 41 21 2 | 17.6212; 17.6212; 29.1165 90; 90; 90 | 9040.9 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561837 | CIF | C39 H50 Lu N11 O14.5 Y | P 43 21 2 | 17.5884; 17.5884; 28.9743 90; 90; 90 | 8963.3 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561838 | CIF | C39 H50 Gd Lu N11 O14.5 | P 41 21 2 | 17.6236; 17.6236; 29.062 90; 90; 90 | 9026.4 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561839 | CIF | C39 H50 N11 O14.5 Y Yb | P 41 21 2 | 17.5997; 17.5997; 28.979 90; 90; 90 | 8976.2 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561840 | CIF | C39 H52 Gd N11 O15.5 Y | P 43 21 2 | 17.6312; 17.6312; 29.2044 90; 90; 90 | 9078.5 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561841 | CIF | C39 H50 N11 O14.5 Yb2 | P 41 21 2 | 17.5867; 17.5867; 28.966 90; 90; 90 | 8959 | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes Chemical Science, 2021 |
1561842 | CIF | C36 H45 Cl12 I2 N7 | P b c m | 12.486; 27.199; 13.881 90; 90; 90 | 4714.1 | Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik Bright Luminescent Lithium and Magnesium Carbene Complexes Chemical Science, 2021 |
1561843 | CIF | C80 H116 I4 Li6 N14 O4 | P 1 21/n 1 | 14.6296; 18.3265; 16.323 90; 93.471; 90 | 4368.32 | Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik Bright Luminescent Lithium and Magnesium Carbene Complexes Chemical Science, 2021 |
1561844 | CIF | C50 H58 I N7 | P -1 | 10.5612; 15.8193; 15.8498 113.98; 96.942; 105.305 | 2254.1 | Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik Bright Luminescent Lithium and Magnesium Carbene Complexes Chemical Science, 2021 |
1561874 | CIF | C13 H9 Br2 N O S | P -1 | 4.0327; 9.774; 16.841 104.639; 91.864; 95.118 | 638.6 | John, Athira T.; Narayanasamy, Akshaya; George, Deepu; Hariharan, Mahesh Atom-Efficient Halogen‒Halogen Interactions Assist One-, Two-, and Three-Dimensional Molecular Zippers The Journal of Physical Chemistry C, 2021 |
1561875 | CIF | C70 H73 Br3 F12 Fe N6 O10 P2 | R -3 :H | 13.982; 13.982; 67.108 90; 90; 120 | 11362 | Morozumi, Takuma; Matsuoka, Ryota; Nakamura, Takashi; Nabeshima, Tatsuya Solvent-dependent fac/mer-isomerization and self-assembly of triply helical complexes bearing a pivot part Chemical Science, 2021 |
1561876 | CIF | C13 H11 Cl Cu N4 S2 | P -1 | 8.6462; 9.7989; 10.1011 68.887; 71.065; 82.137 | 755 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561877 | CIF | C26 H22 Cu2 N10 O6 S4 | P -1 | 7.9731; 9.8264; 10.9176 76.501; 85.908; 73.399 | 797.05 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561878 | CIF | C26 H22 Br3 Cu3 N8 S4 | C 1 2/c 1 | 10.7395; 16.0006; 18.9882 90; 96.286; 90 | 3243.3 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
1561941 | CIF | C54 H26 Cd3 N2 O16 | C 1 2/c 1 | 17.2764; 25.4667; 18.4671 90; 95.669; 90 | 8085.3 | Jiao, Zhuo-Hao; Hou, Sheng-Li; Kang, Xiao-Min; Yang, Xiu-Pei; Zhao, Bin Recyclable Luminescence Sensor for Dinotefuran in Water by Stable Cadmium‒Organic Framework Analytical Chemistry, 2021 |
1561942 | CIF | C20 H20 Br N5 O8 Ru S3 | P -1 | 8.4255; 12.3597; 13.7917 104.032; 98.783; 90.292 | 1375.7 | Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J. Nanooptomechanical Transduction in a Single Crystal with 100% Photoconversion The Journal of Physical Chemistry C, 2021, 125, 8907-8915 |
1561943 | CIF | C46 H52 N4 O6 | C 1 2/c 1 | 21.6002; 13.9128; 15.8199 90; 120.926; 90 | 4078.3 | Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties Macromolecules, 2021 |
1561944 | CIF | C88 H96 N8 O11 | P 1 21/n 1 | 24.1177; 5.9556; 29.0641 90; 100.642; 90 | 4102.8 | Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties Macromolecules, 2021 |
1561945 | CIF HKL Paper | C11 H13 Br2 N O4 | P -1 | 7.2866; 8.5212; 12.1832 71.376; 81.745; 83.682 | 707.76 | Noland, Wayland E.; Herzig, Ryan J.; Fox, Renee C.; Tritch, Kenneth J. 3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate IUCrData, 2021, 6, x210391 |
1561946 | CIF HKL Paper | C8 H22 Cl2 N4 O9 Zn | P 1 2/c 1 | 12.3428; 8.4603; 16.0543 90; 92.881; 90 | 1674.33 | Ichimaru, Yoshimi; Kato, Koichi; Kurosaki, Hiromasa; Fujioka, Haruto; Sakai, Misa; Yamaguchi, Yoshihiro; Wanchun, Jin; Sugiura, Kirara; Imai, Masanori; Koike, Tohru Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate) IUCrData, 2021, 6 |
1561947 | CIF | Fe0.8 Mn3.2 Nd4 O11.6 | P n m a | 5.7753; 7.6025; 5.4222 90; 90; 90 | 238.07 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561948 | CIF | Fe0.8 Mn3.2 Nd4 O11.6 | P n m a | 5.621; 7.842; 5.519 90; 90; 90 | 243.28 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561949 | CIF | Fe0.8 Mn3.2 Nd4 O12 | P n m a | 5.6046; 7.8383; 5.5186 90; 90; 90 | 242.44 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561950 | CIF | Fe0.4 Mn3.6 Nd4 O11.6 | P n m a | 5.6346; 7.842; 5.5179 90; 90; 90 | 243.82 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561951 | CIF | Fe0.4 Mn3.6 Nd4 O11.6 | P n m a | 5.8096; 7.5778; 5.4196 90; 90; 90 | 238.59 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561952 | CIF | Fe0.4 Mn3.6 Nd4 O12 | P n m a | 5.5927; 7.8178; 5.5063 90; 90; 90 | 240.75 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561953 | CIF | Fe0.4 Mn3.6 Nd4 O12 | P n m a | 5.6657; 7.6228; 5.4186 90; 90; 90 | 234.02 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561954 | CIF | Mn4 Nd4 O11.6 | P n m a | 5.6392; 7.8384; 5.5155 90; 90; 90 | 243.8 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561955 | CIF | Mn4 Nd4 O11.6 | P n m a | 5.8463; 7.5498; 5.4169 90; 90; 90 | 239.09 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561956 | CIF | Mn Nd O3 | P n m a | 5.6021; 7.8322; 5.5149 90; 90; 90 | 241.98 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1561957 | CIF | Mn Nd O3 | P n m a | 5.6748; 7.602; 5.4108 90; 90; 90 | 233.42 | Matus Mihalik Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2) Journal of Alloys and Compounds, 2021, 857, 157612 |
1562005 | CIF | C24 H30 N2 O | P 21 21 21 | 9.138; 13.8136; 15.8299 90; 90; 90 | 1998.2 | Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids Chemical Science, 2021, 12, 7388-7392 |
1562006 | CIF | C195.5 H248 N19 O67 Zr6 | C 2 2 21 | 25.1903; 29.0888; 64.585 90; 90; 90 | 47325 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
1562007 | CIF | C135 H78 O40 Zr6 | C 2 2 21 | 25.626; 30.235; 61.873 90; 90; 90 | 47939 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
1562008 | CIF | C61 H42 O17 Zr3 | I 41 2 2 | 42.697; 42.697; 37.907 90; 90; 90 | 69106 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
1562009 | CIF | C135 H78 O60 P3 Zr9 | P 62 2 2 | 38.1622; 38.1622; 45.5859 90; 90; 120 | 57495 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
1562010 | CIF | C182.67 H102 O60 P3 Zr9 | P 32 2 1 | 45.122; 45.122; 49.238 90; 90; 120 | 86818 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
1562050 | CIF | C86 H114 B4 Co2 F8 Fe2 N36 O6 | P -1 | 14.3083; 14.8135; 15.9556 62.691; 66.812; 63.731 | 2616.3 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562051 | CIF | C86 H98 B4 Co2 F8 Fe2 N36 O6 | P -1 | 13.2668; 13.3671; 16.934 75.022; 80.773; 84.036 | 2857.34 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562052 | CIF | C86 H98 B4 Co2 F8 Fe2 N36 O6 | P -1 | 13.476; 13.4982; 17.3464 75.871; 80.2; 84.287 | 3009.7 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562053 | CIF | C78 H98 B4 Co2 F8 Fe2 N36 O6 | P -1 | 13.2612; 13.2975; 15.778 88.404; 70.475; 82.323 | 2598.4 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562054 | CIF | C78 H98 B4 Co2 F8 Fe2 N36 O6 | P -1 | 13.1307; 13.1529; 15.5247 88.755; 70.514; 82.435 | 2504.9 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562055 | CIF | C86 H114 B4 Co2 F8 Fe2 N36 O6 | P -1 | 14.1373; 14.8381; 15.844 62.517; 88.485; 63.206 | 2561.82 | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes The Journal of Physical Chemistry A, 2021 |
1562056 | CIF HKL Paper | C40 H54 Cl4 N4 O5 | P 1 | 9.5944; 12.7606; 18.0312 73.9951; 79.1246; 75.2203 | 2035.09 | Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan Quinine dihydrochloride hemihydrate IUCrData, 2021, 6, x210406 |
1562057 | CIF | C23 H30 O5 S Si | P 1 21 1 | 9.2424; 8.7534; 15.2178 90; 96.784; 90 | 1222.54 | Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters. Chemical science, 2021, 12, 7498-7503 |
1562058 | CIF | C49 H78 F9 N4 O17 S3 Y | P 1 21 1 | 11.9751; 20.8149; 12.9319 90; 106.231; 90 | 3094.9 | Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters. Chemical science, 2021, 12, 7498-7503 |
1562114 | CIF | C14 H15 F N2 O7 | P 1 21/n 1 | 7.6479; 6.3464; 30.7977 90; 94.502; 90 | 1490.2 | Yu, Yue-Ming; Niu, Yuan-Yuan; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei Supramolecular self-assembly and perfected in vitro/vivo property of 5-fluorouracil and ferulic acid on the strength of double optimized strategy: the first 5-fluorouracial-phenolic acid nutraceutical cocrystal with synergistic antitumor efficacy The Analyst, 2021, 146, 2506-2519 |
1562115 | CIF | C18 H21.53 N3 O7 P | P 1 21 1 | 10.0914; 9.9851; 10.5204 90; 92.72; 90 | 1058.88 | Kaasik, Mikk; Martõnova, Jevgenija; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, Tõnis Enantioselective Michael addition to vinyl phosphonates <i>via</i> hydrogen bond-enhanced halogen bond catalysis. Chemical science, 2021, 12, 7561-7568 |
1562116 | CIF | C554 H856 B3 Cs3 F72 N109 O90.25 Si40 | P 1 21 1 | 26.3005; 46.071; 30.4842 90; 91.29; 90 | 36928 | Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects. Chemical science, 2021, 12, 7569-7574 |
1562117 | CIF | C20 H24 Cl N5 O5.5 | P 21 21 21 | 9.0849; 21.33; 23.003 90; 90; 90 | 4457.5 | Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects. Chemical science, 2021, 12, 7569-7574 |
1562118 | CIF | C28.69 H47.76 N5 O4.94 Si2 | C 1 2 1 | 64.413; 7.1861; 22.2867 90; 99.221; 90 | 10182.7 | Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects. Chemical science, 2021, 12, 7569-7574 |
1562119 | CIF | C15 H16 B N3 O4 | P 1 21/c 1 | 11.1651; 10.4907; 12.5832 90; 94.045; 90 | 1470.2 | Lin, Shengjia; Wang, Lucia; Sharma, Abhishek Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations. Chemical science, 2021, 12, 7924-7929 |
1562120 | CIF | C20 H18 B N3 O4 | P 1 21/c 1 | 17.1144; 9.3148; 12.0484 90; 94.91; 90 | 1913.7 | Lin, Shengjia; Wang, Lucia; Sharma, Abhishek Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations. Chemical science, 2021, 12, 7924-7929 |
1562121 | CIF | C82 H102 Au2 Br N8 O4 | P -1 | 13.63; 15.952; 19.288 86.368; 88.416; 78.854 | 4105.8 | Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F. Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification. Chemical science, 2021, 12, 7547-7553 |
1562122 | CIF | C43 H57 Au F6 N5 O2 P | P -1 | 11.0894; 18.0488; 24.6597 101.631; 93.6495; 101.64 | 4706.8 | Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F. Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification. Chemical science, 2021, 12, 7547-7553 |
1562123 | CIF | C45 H59 Au F6 N5 O2 P | P 1 21 1 | 11.3001; 50.4909; 17.6766 90; 100.564; 90 | 9914.5 | Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F. Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification. Chemical science, 2021, 12, 7547-7553 |
1562124 | CIF | C95 H118 Au2 Cl2 F12 N12 O6 P2 | P -1 | 11.0621; 18.0164; 25.9531 102.579; 92.799; 98.359 | 4977.26 | Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F. Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification. Chemical science, 2021, 12, 7547-7553 |
1562125 | CIF | C12 H11 Cl O2 | P 1 21/n 1 | 5.7583; 9.7431; 18.3135 90; 94.058; 90 | 1024.88 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562126 | CIF | C12 H11 Cl O2 | P -1 | 8.1989; 8.4173; 8.8635 68.933; 76.834; 65.982 | 519 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562127 | CIF | C13 H13 Cl O2 | P -1 | 8.5302; 8.5648; 8.8272 76.753; 69.175; 65.803 | 547.18 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562128 | CIF | C12 H11 Br O2 | P -1 | 8.3537; 8.5198; 8.8355 69.125; 76.764; 65.212 | 531.08 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562129 | CIF | C12 H11 Br O2 | P 1 21/n 1 | 5.8376; 9.7639; 18.2223 90; 94.149; 90 | 1035.91 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562130 | CIF | C13 H13 Br O2 | P -1 | 8.5352; 8.6441; 8.8394 77.597; 69.818; 67.081 | 561.35 | Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations . Chemical Science, 2021 |
1562166 | CIF | C16 H14 O2 S | P 21 21 21 | 6.256; 7.6732; 28.1296 90; 90; 90 | 1350.32 | McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization. Chemical science, 2021, 12, 7480-7485 |
1562167 | CIF | C16 H13 F O2 S | P 1 c 1 | 7.5201; 6.1363; 29.1109 90; 93.778; 90 | 1340.42 | McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization. Chemical science, 2021, 12, 7480-7485 |
1562168 | CIF | C18 H16 O4 S | P 1 21/c 1 | 7.2283; 19.7499; 21.8837 90; 90.439; 90 | 3123.99 | McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization. Chemical science, 2021, 12, 7480-7485 |
1562169 | CIF | C16 H14 O2 S | P 21 21 21 | 6.1993; 22.8971; 27.5542 90; 90; 90 | 3911.21 | McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization. Chemical science, 2021, 12, 7480-7485 |
1562170 | CIF | C17 H16 O2 S | P 1 21/n 1 | 5.9144; 16.5154; 14.7712 90; 95.2702; 90 | 1436.73 | McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization. Chemical science, 2021, 12, 7480-7485 |
1562171 | CIF | C17 H22 O4 | P 1 21 1 | 10.6905; 12.9017; 11.275 90; 99.604; 90 | 1533.32 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562172 | CIF | C18 H24 O4 | P 1 | 10.0882; 11.6472; 14.4851 101.004; 106.6; 96.185 | 1577.07 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562173 | CIF | C20 H28 O4 | P 1 21 1 | 8.7363; 7.5297; 13.3695 90; 90.32; 90 | 879.45 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562174 | CIF | C19 H24 O4 | P 1 21 1 | 8.1066; 17.4846; 11.7095 90; 90.935; 90 | 1659.49 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562175 | CIF | C18 H24 O4 | P 1 21 1 | 6.8205; 17.9401; 6.9699 90; 116.508; 90 | 763.18 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562176 | CIF | C16 H22 O4 | P 1 21 1 | 8.0972; 7.0855; 13.1638 90; 107.604; 90 | 719.875 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562177 | CIF | C46 H52 O8 | P 1 21 1 | 11.3066; 8.3782; 20.2485 90; 96.507; 90 | 1905.76 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562178 | CIF | C19 H26 O4 | P 1 21 1 | 9.2554; 19.3711; 10.2742 90; 115.9; 90 | 1657.02 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562179 | CIF | C78 H43 F48 O8 | P 1 21 1 | 10.533; 32.5011; 12.4209 90; 111.317; 90 | 3961.18 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562180 | CIF | C67 H102 O4 | P 21 21 21 | 17.7407; 27.9256; 27.9774 90; 90; 90 | 13860.5 | Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction. Chemical science, 2021, 12, 7575-7582 |
1562181 | CIF HKL Paper | C30 H19 I N2 | P 1 21/n 1 | 9.5057; 29.3757; 16.5679 90; 96.127; 90 | 4599.9 | Yan, Dan 9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole IUCrData, 2021, 6, x210428 |
1562223 | CIF | C100 H46 Ag12 Au F36 N13 | P -1 | 15.4163; 15.5079; 15.5847 61.591; 67.904; 61.997 | 2837 | Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters The Journal of Physical Chemistry C, 2021 |
1562224 | CIF | C94 H38 Ag12.4 Au0.6 F44 N13 | P -1 | 15.3601; 15.6093; 15.6475 62.885; 67.963; 61.886 | 2883.2 | Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters The Journal of Physical Chemistry C, 2021 |
1562225 | CIF | C228 H170 Ag24.4 Au1.6 F72 N26 O17 | P -1 | 15.21283; 16.46205; 27.06694 86.2278; 87.0958; 64.9064 | 6123.47 | Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters The Journal of Physical Chemistry C, 2021 |
1562226 | CIF | C37 H57 Au Cl3 F6 N P Sb | P -1 | 10.1636; 11.2723; 20.036 79.592; 86.479; 65.966 | 2061.8 | Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand Chemical Science, 2021 |
1562227 | CIF | C30.5 H44 Au Cl2 F6 N P Sb | P -1 | 10.3795; 11.7433; 16.0874 80.093; 77.477; 65.482 | 1734.2 | Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand Chemical Science, 2021 |
1562228 | CIF | C36 H45 Au Cl F6 N P Sb | C 1 2/c 1 | 29.91; 9.8604; 28.71 90; 119.225; 90 | 7389.5 | Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand Chemical Science, 2021 |
1562229 | CIF | C33 H47 Au Cl F6 N O2 P Sb | P -1 | 10.1052; 14.6709; 14.9416 109.75; 101.005; 104.616 | 1922.4 | Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand Chemical Science, 2021 |
1562230 | CIF | C33 H47 Au Cl F6 N O2 P Sb | P 1 21/n 1 | 9.7524; 25.856; 14.5514 90; 106.77; 90 | 3513.2 | Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand Chemical Science, 2021 |
1562231 | CIF | C35 H35 Cl2 F3 N8 O3 S Zn | P 1 21/n 1 | 13.2525; 18.3533; 15.0527 90; 96.635; 90 | 3636.7 | Lauenstein, Raphael; Mader, Sophie L.; Derondeau, Henrieta; Esezobor, Oaikhena Z.; Block, Matthias; Römer, Armin J; Jandl, Christian; Riedle, Eberhard; Kaila, Ville R. I.; Hauer, Jürgen; Thyrhaug, Erling; Hess, Corinna R. The central role of the metal ion for photoactivity: Zn- <i>vs.</i> Ni-Mabiq. Chemical science, 2021, 12, 7521-7532 |
1562232 | CIF | C25 H27 N O5 S | P 1 21 1 | 9.954; 14.826; 15.404 90; 94.53; 90 | 2266.2 | Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution Chemical Science, 2021 |
1562233 | CIF | C15 H17 F O3 | P 21 21 21 | 8.2258; 11.1904; 14.7228 90; 90; 90 | 1355.23 | Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution Chemical Science, 2021 |
1562234 | CIF | C18 H19 N O2 | P 1 21 1 | 10.4741; 10.4866; 13.7315 90; 99.081; 90 | 1489.33 | Tak, Raj K.; Amemiya, Fuyuki; Noda, Hidetoshi; Shibasaki, Masakatsu Generation and application of Cu-bound alkyl nitrene for the catalyst-controlled synthesis of cyclic β-amino acids Chemical Science, 2021 |
1562235 | CIF | C97 H80 Cl2 O8 | P -1 | 12.9562; 14.7057; 21.804 96.529; 97.374; 110.822 | 3793.6 | Nogami, Juntaro; Nagashima, Yuki; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken Asymmetric Synthesis, Structures, and Chiroptical Properties of Helical Cycloparaphenylenes Chemical Science, 2021 |
1562236 | CIF | C44 H29 In2 N O12 | P -1 | 11.241; 13.279; 18.002 86.469; 75.801; 81.052 | 2572.6 | Jindal, Swati; Anjum, Gulshan; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Mechanoluminescence and aggregation-enhanced emission (AEE) of an In-MOF based on a 9,9'-diphenyl-9<i>H</i>-fluorene tetraacid linker. Nanoscale, 2021, 13, 9668-9677 |
1562291 | CIF | C H13 Mn N2 O6 P3 | P n m a | 9.3794; 13.2922; 8.5672 90; 90; 90 | 1068.1 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562292 | CIF | C H13 Mn N2 O6 P3 | P n m a | 9.1707; 13.1949; 8.3574 90; 90; 90 | 1011.3 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562293 | CIF | C H13 Mn N2 O6 P3 | P n m a | 7.4791; 12.9833; 10.0993 90; 90; 90 | 980.7 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562294 | CIF | C H13 Mn N2 O6 P3 | P 1 21/n 1 | 10.2348; 7.272; 12.6997 90; 92.533; 90 | 944.3 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562295 | CIF | C H13 Mn N2 O6 P3 | P 1 21/n 1 | 10.2099; 7.229; 12.6741 90; 92.643; 90 | 934.4 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562296 | CIF | C H13 Mn N2 O6 P3 | P 1 21/n 1 | 10.1672; 7.163; 12.6123 90; 92.749; 90 | 917.5 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562297 | CIF | C H13 Mn N2 O6 P3 | P 1 21/n 1 | 10.115; 7.088; 12.613 90; 93.298; 90 | 902.8 | Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites The Journal of Physical Chemistry C, 2021 |
1562298 | CIF | C22 H23 N O3 | P b c a | 17.998; 9.6252; 20.8083 90; 90; 90 | 3604.71 | Pooler, Daisy Rose Sherwood; Pierron, Robin; Crespi, Stefano; Costil, Romain; Pfeifer, Lukas; Léonard, Jérémie; Olivucci, Massimo; Feringa, Ben L. Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor Chemical Science, 2021 |
1562299 | CIF | C44 H39 Au Cl2 N2 O2 P2 | P 1 21/n 1 | 10.4749; 16.5319; 23.0359 90; 93.007; 90 | 3983.63 | Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G. Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition. Chemical science, 2021, 12, 7467-7479 |
1562300 | CIF | C42 H32 Au Cl2 N O P2 | P -1 | 12.0282; 16.7453; 20.3891 97.253; 95.135; 90.405 | 4056.8 | Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G. Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition. Chemical science, 2021, 12, 7467-7479 |
1562301 | CIF | C41 H33 Au Cl2 N2 P2 | P 1 21/n 1 | 10.4667; 16.4519; 23.6049 90; 96.182; 90 | 4041.06 | Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G. Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition. Chemical science, 2021, 12, 7467-7479 |
1562302 | CIF | C44 H42 Au Cl2 N O2 P2 | P 21 21 21 | 13.5131; 16.8347; 18.5104 90; 90; 90 | 4210.91 | Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G. Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition. Chemical science, 2021, 12, 7467-7479 |
1562339 | CIF | C40 H52 O11 | P 61 | 10.56998; 10.56998; 56.6723 90; 90; 120 | 5483.4 | Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>. Journal of natural products, 2021 |
1562340 | CIF | C210 H177 Au23 F12 N12 Sb2 | P -1 | 20.1518; 24.0064; 25.2448 61.645; 89.9897; 82.7479 | 10636.5 | Hirano, Koto; Takano, Shinjiro; Tsukuda, Tatsuya Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores The Journal of Physical Chemistry C, 2021 |
1562341 | CIF | C72 H162 K N2 O24 Si6 U2 | P -1 | 13.4396; 17.7067; 25.0094 80.0596; 88.3887; 71.629 | 5561.2 | Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides Chemical Science, 2021 |
1562342 | CIF | C80 H184 N2 O26 Si6 U2 | P 1 21 1 | 14.34057; 17.69858; 22.05 90; 91.5214; 90 | 5594.49 | Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides Chemical Science, 2021 |
1562343 | CIF | C76 H170 N2 O25 Si6 U2 | P 1 21 1 | 14.1108; 17.5538; 22.2467 90; 91.4964; 90 | 5508.59 | Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides Chemical Science, 2021 |
1562344 | CIF | C72 H162 I K2 N2 O24 Si6 U2 | P 1 21 1 | 13.9014; 18.1586; 22.0984 90; 92.822; 90 | 5571.5 | Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides Chemical Science, 2021 |
1562345 | CIF | C44 H97 Cl O14 Si3 U | C 1 c 1 | 24.6881; 14.15493; 38.5283 90; 107.29; 90 | 12855.6 | Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides Chemical Science, 2021 |
1562346 | CIF HKL Paper | C20 H36 N2 O2 | P 1 21/n 1 | 8.2294; 8.4573; 14.0115 90; 93.974; 90 | 972.83 | Schmitt, Volker; Holzmann, Gideon; Schollmeyer, Dieter; Detert, Heiner [2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol IUCrData, 2021, 6, x210443 |
1562347 | CIF | C34 H42 O12 | C 1 2 1 | 24.152; 9.2708; 6.9096 90; 94.898; 90 | 1541.5 | Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>. Journal of natural products, 2021, 84, 1149-1162 |
1562348 | CIF | C33.5 H40 O11.5 | P 1 | 11.938; 12.782; 12.925 118.386; 92.327; 114.237 | 1512.3 | Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>. Journal of natural products, 2021, 84, 1149-1162 |
1562349 | CIF | C17 H16 N2 | P 1 21/c 1 | 15.9907; 11.3667; 15.9469 90; 114.149; 90 | 2644.87 | Jin, Pengfei; Zhan, Guanqun; Zheng, Guijuan; Liu, Junjun; Peng, Xiang; Huang, Lang; Gao, Biao; Yuan, Xinghua; Yao, Guangmin Gelstriamine A, a Triamino Monoterpene Indole Alkaloid with a Caged 6/5/7/6/6/5 Scaffold and Analgesic Alkaloids from <i>Gelsemium elegans</i> Stems. Journal of natural products, 2021, 84, 1326-1334 |
1562350 | CIF | C19 H28 O5 | P 21 21 21 | 8.7654; 12.6378; 15.3841 90; 90; 90 | 1704.18 | Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues. Journal of natural products, 2021, 84, 1345-1352 |
1562351 | CIF | C38 H56 O10 | P 1 21 1 | 10.3283; 9.4323; 17.9581 90; 90.172; 90 | 1749.46 | Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues. Journal of natural products, 2021, 84, 1345-1352 |
1562352 | CIF | C18 H16 F6 O2 | P b c a | 12.736; 5.824; 22.5026 90; 90; 90 | 1669.12 | Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups Macromolecules, 2021, 54, 3716-3724 |
1562353 | CIF | C62.5 H75 Cl N4 | P 1 21/n 1 | 14.5082; 20.329; 37.5089 90; 97.29; 90 | 10973.3 | Man, Zhongwei; Cui, Hongtu; Lv, Zheng; Xu, Zhenzhen; Wu, Zhaoyang; Wu, Yishi; Liao, Qing; Liu, Meihui; Xi, Peng; Zheng, Lemin; Fu, Hongbing Organic Nanoparticles-Assisted Low-Power STED Nanoscopy. Nano letters, 2021, 21, 3487-3494 |
1562354 | CIF | C56 H62 N2 O14 Si10 | P 21 21 21 | 10.0808; 24.277; 25.8121 90; 90; 90 | 6317 | Ishida, Ayano; Fujii, Shunichi; Sumida, Akifumi; Kamitani, Tasuku; Minami, Saori; Urayama, Kenji; Imoto, Hiroaki; Naka, Kensuke Supramolecular organogel formation behaviors of beads-on-string shaped poly(azomethine)s dependent on POSS structures in the main chains Polymer Chemistry, 2021, 12, 3169-3176 |
1562355 | CIF | C59.25 H54.5 Br2 Cl2.5 N2 Ni | P 1 21/n 1 | 15.1086; 19.8115; 19.2127 90; 93.602; 90 | 5739.5 | Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis Polymer Chemistry, 2021, 12, 3240-3249 |
1562356 | CIF | C71 H53 Cl N2 Pd | C 1 2/c 1 | 12.976; 19.5971; 23.93 90; 96.867; 90 | 6041.6 | Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis Polymer Chemistry, 2021, 12, 3240-3249 |
1562357 | CIF | C59 H51 Cl N2 Pd | P 1 21/c 1 | 15.86; 16.3701; 18.8102 90; 106.03; 90 | 4693.8 | Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis Polymer Chemistry, 2021, 12, 3240-3249 |
1562358 | CIF | C70 H52 Br2 N2 Ni | P -1 | 17.6855; 19.5147; 21.7741 66.138; 87.031; 70.111 | 6430.3 | Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis Polymer Chemistry, 2021, 12, 3240-3249 |
1562359 | CIF | C32 H28 Cl6 N2 O2 Sb | P -1 | 7.9631; 10.0144; 11.2341 100.421; 95.385; 106.067 | 836.8 | Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M. Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization Macromolecules, 2021, 54, 4726-4738 |
1562360 | CIF | C46.5 H32 Cl7 N O Sb | P 1 21/n 1 | 11.6418; 18.8802; 18.9143 90; 91.686; 90 | 4155.6 | Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M. Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization Macromolecules, 2021, 54, 4726-4738 |
1562361 | CIF | C26 H16 Br3 F6 N2 | P -1 | 7.73; 10.3469; 16.7221 78.825; 77.881; 83.304 | 1278.83 | Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M. Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization Macromolecules, 2021, 54, 4507-4516 |
1562362 | CIF | C66 H56 F6 N2 O8 | P -1 | 6.5181; 14.7409; 16.2314 114.08; 93.91; 102.462 | 1368.8 | Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M. Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization Macromolecules, 2021, 54, 4507-4516 |
1562363 | CIF | C30 H30 Br N O2 | P 1 21 1 | 10.5345; 9.9038; 12.7437 90; 104.117; 90 | 1289.42 | Marfo-OWUSU, Emmanuel; THOMPSON, Amber L. The Crystal Structure of an Inclusion Complex of Benzyltrimethylammonium Bromide with (<i>R</i>)-(+)-1,1′-binaphthalene-2,2′-diol X-ray Structure Analysis Online, 2021, 37, 19-20 |
1562364 | CIF | C19 H15 N3 O | P n a 21 | 18.351; 17.574; 4.5721 90; 90; 90 | 1474.5 | SUDA, Shintaro; ONAMI, Yuika; HARAGUCHI, Tomoyuki; AKITSU, Takashiro Orthorhombic Polymorphism of 4-(2-Phenyldiazenyl)-2-[(phenylimino)methyl]phenol X-ray Structure Analysis Online, 2021, 37, 17-18 |
1562365 | CIF | B K1.78 Na1.22 O14 Si4 U | C m c e | 15.5471; 14.3403; 11.7315 90; 90; 90 | 2615.5 | Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate Inorganics, 2021, 9, 25 |
1562366 | CIF | C40.5 H34 F6 N7 O4.5 P Ru | P 1 21/c 1 | 8.431; 35.524; 13.404 90; 99.315; 90 | 3962 | Shiga, Takuya; Tachibana, Minami; Oshio, Hiroki; Nihei, Masayuki Synthesis of a Ru(II) Complex with a Naphthoquinone-Annelated Imidazole Ligand Exhibiting Proton-Responsive Redox and Luminescent Behavior Inorganics, 2021, 9, 24 |
1562367 | CIF | C5 H12 N2 | I -4 2 d | 7.208; 7.208; 23.094 90; 90; 90 | 1199.9 | Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z. Homopiperazine (Hexahydro-1,4-diazepine) Molbank, 2021, 2021, M1200 |
1562368 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.878; 3.9147; 15.6886 90; 102.569; 90 | 472.24 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562369 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8846; 3.9372; 15.754 90; 102.594; 90 | 477.29 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562370 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8868; 3.9718; 15.822 90; 102.719; 90 | 483.46 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562371 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8876; 3.9434; 15.7578 90; 102.624; 90 | 478.28 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562372 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8728; 3.9608; 15.7845 90; 102.664; 90 | 480.23 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562373 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8758; 3.9534; 15.7573 90; 102.653; 90 | 478.71 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562374 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8702; 3.9302; 15.732 90; 102.573; 90 | 474.94 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562375 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8662; 3.966; 15.7823 90; 102.696; 90 | 480.33 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562376 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8729; 3.9195; 15.7126 90; 102.604; 90 | 473.17 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562377 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8864; 3.9488; 15.774 90; 102.624; 90 | 479.36 | Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study Chemical Science, 2021 |
1562378 | CIF | C37 H47 N O4 S Si | P 1 21/n 1 | 16.6691; 10.8205; 20.3333 90; 112.297; 90 | 3393.3 | Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles Chemical Science, 2021 |
1562379 | CIF | C28 H25 Cl2 N O4 S | P -1 | 10.7086; 10.8936; 11.8325 78.43; 66.115; 79.274 | 1227.96 | Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles Chemical Science, 2021 |
1562380 | CIF | C28 H25 Br Cl N O4 S | P -1 | 10.7962; 10.9702; 11.8384 78.442; 65.815; 79.502 | 1245.21 | Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles Chemical Science, 2021 |
1562381 | CIF | Lu Mn Na O6 W | P 1 21 1 | 5.34558; 5.55762; 7.87444 90; 90.2851; 90 | 233.936 | P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C, 2021, 125, 10803-10809 |
1562382 | CIF | Co Lu Na O6 W | P 1 21 1 | 5.30219; 5.50632; 7.76771 90; 90.2633; 90 | 226.78 | P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C, 2021, 125, 10803-10809 |
1562383 | CIF | Co Na O6 Tm W | P 1 21 1 | 5.32174; 5.51366; 7.77534 90; 90.2722; 90 | 228.144 | P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C, 2021, 125, 10803-10809 |
1562384 | CIF | Co Na O6 W Yb | P 1 21 1 | 5.31027; 5.51156; 7.7711 90; 90.2794; 90 | 227.441 | P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C, 2021, 125, 10803-10809 |
1562385 | CIF | Co Er Na O6 W | P 1 21 1 | 5.33407; 5.51959; 7.78263 90; 90.2676; 90 | 229.133 | P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu) The Journal of Physical Chemistry C, 2021, 125, 10803-10809 |
1562386 | CIF | C15 H20 Cl N O3 | P 21 21 21 | 9.5536; 10.5647; 15.067 90; 90; 90 | 1520.73 | Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines Chemical Science, 2021 |
1562387 | CIF | C42 H68 N O3 P S | P 21 21 21 | 13.7139; 14.6929; 20.8028 90; 90; 90 | 4191.7 | Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines Chemical Science, 2021 |
1562388 | CIF | C31 H31 N3 O6 S | P 1 21/n 1 | 20.0965; 5.88104; 26.5867 90; 98.87; 90 | 3104.7 | Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles Chemical Science, 2021 |
1562389 | CIF | C26 H32 N2 O4 S | P 1 21/c 1 | 6.3612; 23.6708; 15.8181 90; 91.6343; 90 | 2380.84 | Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles Chemical Science, 2021 |
1562390 | CIF | C16 H10 F6 O6 S2 | P -1 | 9.5762; 10.0978; 10.1439 87.983; 78.962; 69.485 | 901.15 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562391 | CIF | C16 H8 F6 O6 S2 | P -1 | 5.4457; 9.7022; 17.3622 84.758; 87.356; 74.878 | 881.63 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562392 | CIF | C39.5 H24 | P -1 | 10.1399; 11.8036; 12.2024 104.246; 90.62; 111.016 | 1313.5 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562393 | CIF | C36 H20 | P 1 21/n 1 | 10.03642; 20.42255; 12.53918 90; 111.752; 90 | 2387.14 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562394 | CIF | C105 H89 B4 N4 | P -1 | 14.4537; 14.7536; 20.5177 100.327; 98.165; 99.886 | 4172.5 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562395 | CIF | C54 H50 O4 | P 1 2/n 1 | 11.1578; 11.0555; 17.2821 90; 98.594; 90 | 2107.9 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562396 | CIF | C24 H22 O2 | P n a 21 | 11.74087; 32.1637; 9.77293 90; 90; 90 | 3690.55 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562397 | CIF | C104 H76 B4 N4 | P 1 21/c 1 | 14.0002; 40.895; 17.3331 90; 91.677; 90 | 9919.6 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562398 | CIF | C95.25 H84.87 B4 N9.62 | P b c a | 19.2454; 28.1544; 29.7705 90; 90; 90 | 16130.9 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562399 | CIF | C87.33 H78.66 B4 Cl6.66 N8 | P n a 21 | 23.0669; 22.8536; 15.375 90; 90; 90 | 8105.1 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562400 | CIF | C84 H76 B4 N10 | I 41/a :2 | 26.4901; 26.4901; 44.94 90; 90; 90 | 31535.5 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562401 | CIF | C52 H52 O5 | P -1 | 9.8376; 11.0362; 11.1225 89.252; 66.881; 74.852 | 1066.53 | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science, 2021 |
1562402 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562403 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562404 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562405 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562406 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562407 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562408 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562409 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562410 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562411 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562412 | CIF | C10 N5 O0.5 Zn1.5 | P 1 21/c 1 | 13.654; 14.936; 14.311 90; 118.162; 90 | 2573 | Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions, 2021, 231, 66-80 |
1562413 | CIF | C13 H13 N O4 S2 | P 1 21/c 1 | 12.5382; 7.5215; 15.2868 90; 94.455; 90 | 1437.3 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562414 | CIF | C17 H15 N O4 S3 | I 1 2/c 1 | 19.992; 12.091; 30.161 90; 96.166; 90 | 7248 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562415 | CIF | C12 H10 O2 S | I 1 a 1 | 5.968; 7.371; 24.21 90; 94.51; 90 | 1061.7 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562416 | CIF | C10 H8 O2 S2 | P b c a | 14.212; 6.005; 23.945 90; 90; 90 | 2043.5 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562417 | CIF | C9 H6 O2 S2 | C 1 2/c 1 | 20.4772; 12.4117; 7.2775 90; 96.438; 90 | 1838 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562418 | CIF | C7 H4 Cl N S | P 21 21 21 | 5.802; 8.7244; 15.004 90; 90; 90 | 759.49 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1562419 | CIF | C36 H29 N O2 | P -1 | 9.6146; 16.2601; 18.3252 110.783; 90.71; 101.904 | 2609.4 | Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs Materials Horizons, 2021, 8, 2025-2031 |
1562420 | CIF | C35 H27 N O2 | P 1 21/c 1 | 9.25345; 34.5061; 8.13039 90; 106.251; 90 | 2492.31 | Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs Materials Horizons, 2021, 8, 2025-2031 |
1562421 | CIF | C34 H25 N O2 | P 1 21/c 1 | 9.7712; 15.2854; 16.9918 90; 100.166; 90 | 2498 | Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs Materials Horizons, 2021, 8, 2025-2031 |
1562422 | CIF | C35 H27 N O2 | P -1 | 9.2312; 10.2169; 14.6844 76.439; 87.971; 67.26 | 1239.33 | Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs Materials Horizons, 2021, 8, 2025-2031 |
1562423 | CIF | C29 H42 O10 | P 1 21 1 | 18.8533; 7.0067; 21.3135 90; 98.186; 90 | 2786.81 | Stierle, Andrea A.; Stierle, Donald B.; Decato, Daniel; Alverson, Jeremy; Apedaile, Lily Cryptic Biosynthesis of the Berkeleypenostatins from Coculture of Extremophilic <i>Penicillium</i> sp. Journal of natural products, 2021, 84, 1656-1665 |
1562424 | CIF | C37 H27 Cr N O4 P2 | P 1 21/c 1 | 10.2734; 14.333; 21.7148 90; 99.339; 90 | 3155.09 | Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study Catalysis Science & Technology, 2021, 11, 4596-4604 |
1562425 | CIF | C57 H111 Na O12 Si6 Th | P -1 | 13.8938; 14.4588; 18.342 74.4602; 84.135; 83.5214 | 3517.3 | Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J. Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States Chemical Science, 2021 |
1562426 | CIF | C23 H45 K O6 Si2 | P 1 21/c 1 | 18.737; 18.571; 16.803 90; 90.149; 90 | 5847 | Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J. Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States Chemical Science, 2021 |
1562427 | CIF | C51 H99 Cs N2 O6 Si6 Th | P -1 | 12.1953; 12.7501; 22.2212 100.671; 104.376; 95.7421 | 3250.2 | Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J. Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States Chemical Science, 2021 |
1562428 | CIF | C51 H99 N2 O6 Rb Si6 Th | P -1 | 12.1971; 12.7473; 22.242 100.665; 104.473; 95.734 | 3251.6 | Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J. Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States Chemical Science, 2021 |
1562429 | CIF HKL Paper | C15 H14 Co F6 N2 P | P 1 c 1 | 9.961; 8.9243; 9.7204 90; 106.943; 90 | 826.59 | Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno (Cobaltoceniumylamido)pyridinium hexafluoridophosphate IUCrData, 2021, 6 |
1562460 | CIF | C36 H48 B4 N16 Th | P 1 21/c 1 | 18.388; 11.1669; 22.459 90; 94.007; 90 | 4600.4 | DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M. Actinide tetra-N-heterocyclic carbene ‘sandwiches’ Chemical Science, 2021 |
1562461 | CIF | C40 H56 B4 N16 U | F d d d :2 | 14.118; 20.636; 37.423 90; 90; 90 | 10903 | DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M. Actinide tetra-N-heterocyclic carbene ‘sandwiches’ Chemical Science, 2021 |
1562462 | CIF | C36 H48 B4 N16 U | P 1 21/c 1 | 18.5705; 11.3097; 21.6322 90; 94.305; 90 | 4530.52 | DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M. Actinide tetra-N-heterocyclic carbene ‘sandwiches’ Chemical Science, 2021 |
1562463 | CIF | C17 H25 N3 O3 | P -1 | 8.9857; 10.0171; 11.6679 66.192; 82.839; 66.429 | 879.85 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562464 | CIF | C16 H23 N3 O2 | P 1 21 1 | 6.0726; 9.9182; 26.154 90; 93.362; 90 | 1572.53 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562465 | CIF | C16 H21 N3 O2 | P 1 21/c 1 | 5.0586; 27.489; 10.9711 90; 90.664; 90 | 1525.5 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562466 | CIF | C17 H23 N3 O3 | P -1 | 5.0802; 11.6666; 14.355 101.704; 95.1179; 98.2498 | 818.32 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562467 | CIF | C17 H22 F3 N3 O2 | P 1 21/c 1 | 6.1398; 9.9741; 28.544 90; 95.15; 90 | 1740.95 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562468 | CIF | C17 H20 F3 N3 O2 | P -1 | 5.1066; 10.9857; 15.6081 105.298; 96.929; 91.011 | 837.29 | Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines Chemical Science, 2021 |
1562505 | CIF HKL Paper | C15 H16 O5 | P 1 21/n 1 | 11.4373; 9.2045; 13.9862 90; 112.03; 90 | 1364.89 | Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine) IUCrData, 2021, 6, x210451 |
1562538 | CIF | C20 H28 O4 | P 21 21 21 | 8.0711; 9.6743; 22.7439 90; 90; 90 | 1775.89 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562539 | CIF | C20 H26 O4 | P 21 21 21 | 9.622; 13.246; 13.922 90; 90; 90 | 1774.4 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562540 | CIF | C20 H28 O2 | P 1 21 1 | 14.195; 8.5829; 15.3489 90; 108.801; 90 | 1770.2 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562541 | CIF | C20 H28 O4 | P 21 21 21 | 10.1197; 13.3423; 14.0083 90; 90; 90 | 1891.4 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562542 | CIF | C21 H32 O6 | P 1 | 9.8531; 10.0264; 11.2177 96.693; 102.932; 106.655 | 1015.23 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562543 | CIF | C19 H26 O4 | P 21 21 21 | 7.447; 9.642; 23.098 90; 90; 90 | 1658.5 | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. Journal of natural products, 2021, 84, 1442-1452 |
1562544 | CIF | C26 H34 O7 | P 21 21 21 | 10.3562; 10.6612; 19.9903 90; 90; 90 | 2207.1 | Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C. Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>. Journal of natural products, 2021, 84, 1453-1458 |
1562545 | CIF | C27 H38 O10 | P 1 21 1 | 7.1585; 16.5713; 10.8248 90; 102.657; 90 | 1252.89 | Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C. Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>. Journal of natural products, 2021, 84, 1453-1458 |
1562546 | CIF | C26 H32 O7 | P 1 21 1 | 12.1262; 14.4026; 13.3342 90; 105.607; 90 | 2242.9 | Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C. Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>. Journal of natural products, 2021, 84, 1453-1458 |
1562547 | CIF | C16 H13 N S2 | P n m a | 14.1113; 14.1996; 6.88839 90; 90; 90 | 1380.26 | Förtsch, Sebastian; Mena-Osteritz, Elena; Bäuerle, Peter Synthesis and characterization of β,β′-dimethylated dithieno[3,2-b:2′,3′-d]pyrroles and their corresponding regioregular conducting electropolymers Polymer Chemistry, 2021, 12, 3332-3345 |
1562548 | CIF | C33 H50 N2 Si2 Zr2 | P 1 21/c 1 | 16.1662; 12.7556; 16.3557 90; 96.7815; 90 | 3349.1 | Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes Catalysis Science & Technology, 2021, 11, 4034-4050 |
1562549 | CIF | C29 H40 Si2 Zr2 | P -1 | 8.4309; 8.6096; 10.3197 89.1575; 78.2307; 74.7766 | 706.99 | Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes Catalysis Science & Technology, 2021, 11, 4034-4050 |
1562550 | CIF | C33 H40 Si Zr2 | P 1 21/n 1 | 8.3405; 25.5764; 14.2103 90; 100.188; 90 | 2983.54 | Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes Catalysis Science & Technology, 2021, 11, 4034-4050 |
1562551 | CIF | C30.11 H41.33 Cl0.89 Si2 Zr2 | P -1 | 12.9147; 16.0454; 16.0971 73.455; 74.142; 82.668 | 3071.4 | Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes Catalysis Science & Technology, 2021, 11, 4034-4050 |
1562552 | CIF | C33 H52 N2 Zn | P 1 21 1 | 15.9444; 19.642; 19.6889 90; 90.009; 90 | 6166.17 | Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James Zinc catalysed electrophilic C-H borylation of heteroarenes Chemical Science, 2021 |
1562553 | CIF | C15 H11 B Br N O2 | P 1 c 1 | 11.8776; 4.6452; 12.931 90; 113.246; 90 | 655.53 | Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James Zinc catalysed electrophilic C-H borylation of heteroarenes Chemical Science, 2021 |
1562554 | CIF | C35 H48 B F6 N3 O6 S2 | P 1 21/c 1 | 19.26; 12.118; 19.857 90; 118.607; 90 | 4069 | Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James Zinc catalysed electrophilic C-H borylation of heteroarenes Chemical Science, 2021 |
1562555 | CIF | Al24 K6.35 O96 P16.36 Si7.64 | I 2 3 | 14.4656; 14.4656; 14.4656 90; 90; 90 | 3026.98 | Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation Chemical Science, 2021, 12, 8803-8810 |
1562556 | CIF | Al24 Na7.9 O96 P16.36 Si7.64 | I 2 3 | 14.472; 14.472; 14.472 90; 90; 90 | 3031 | Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation Chemical Science, 2021, 12, 8803-8810 |
1562557 | CIF | Al24 Cs6.6 O96 P16.26 Si7.74 | I 2 3 | 14.6832; 14.6832; 14.6832 90; 90; 90 | 3165.64 | Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation Chemical Science, 2021, 12, 8803-8810 |
1562558 | CIF | Al24 Cs6.6 O157.98 P16.26 Si7.74 | I 2 3 | 14.6833; 14.6833; 14.6833 90; 90; 90 | 3165.71 | Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation Chemical Science, 2021, 12, 8803-8810 |
1562560 | CIF | C20 Cl9 Cu In N5 | C 1 2/c 1 | 32.2043; 7.6774; 34.1813 90; 107.203; 90 | 8073.1 | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption Chemical Science, 2021 |
1562561 | CIF | C16 Cl8 Cu1.55 In0.45 N4 | P -1 | 7.4458; 7.6348; 15.5065 89.97; 76.106; 89.921 | 855.71 | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption Chemical Science, 2021 |
1562562 | CIF | C12 H14 Cl6 Cu0.78 In0.22 N2 | P c c n | 7.4183; 32.1336; 7.259 90; 90; 90 | 1730.38 | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption Chemical Science, 2021 |
1562563 | CIF | C12 H14 Cl6 Cu0.83 In0.17 N2 | P 1 21/c 1 | 16.441; 7.5928; 7.313 90; 102.684; 90 | 890.63 | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption Chemical Science, 2021 |
1562564 | CIF HKL | C22 H23 N3 O2 | P -1 | 8.4465; 10.296; 12.1699 91.24; 95.072; 92.102 | 1053.17 | Sivapriya, S.; Priyanka, S.; Gopalakrishnan, M.; Manikandan, H.; Selvanayagam, S. Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate IUCrData, 2021, 6, x210500 |
1562619 | CIF | C21 H16 N4 O5 S | P 21 21 21 | 7.345; 11.5313; 23.7692 90; 90; 90 | 2013.2 | Mondal, Bivas; Maiti, Rakesh; Yang, Xing; Xu, Jun; Tian, Weiyi; Yan, Jialei; Li, Xiangyang; Chi, Yonggui Robin Carbene-Catalyzed Enantioselective Annulation of Dinucleophilic Hydrazones and Bromoenals for Access to Aryl-Dihydropyridazinones and Related Drugs Chemical Science, 2021 |
1562620 | CIF | C5 H14 B3 F12 K N2 | P b c 21 | 10.2792; 9.3759; 14.5388 90; 90; 90 | 1401.2 | Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science, 2021 |
1562621 | CIF | C5 H14 B3 F12 K N2 | C m c m | 10.568; 9.929; 14.249 90; 90; 90 | 1495.1 | Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science, 2021 |
1562622 | CIF | C5 H14 B3 F12 K N2 | P b c m | 10.5005; 9.7685; 14.0216 90; 90; 90 | 1438.25 | Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science, 2021 |
1562623 | CIF | C5 H14 B3 F12 K N2 | P m -3 m | 7.2964; 7.2964; 7.2964 90; 90; 90 | 388.44 | Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science, 2021 |
1562624 | CIF | C79 H62 B Cl2 F4 N2 O4 Os P3 | P -1 | 13.0037; 13.1533; 22.7428 99.03; 103.602; 101.623 | 3617.03 | Lin, Xusheng; Xie, Weiwei; Lin, Qin; Cai, Yuanting; Hua, Yuhui; Lin, Jianfeng; He, Guomei; Chen, Jiangxi NIR-responsive metal-containing polymer hydrogel for light-controlled microvalve Polymer Chemistry, 2021, 12, 3375-3382 |
1562675 | CIF | C9 H17 Br3 N2 Pb | P 1 21/c 1 | 11.434; 16.592; 7.918 90; 101.679; 90 | 1471 | Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C, 2021, 125, 10850-10859 |
1562676 | CIF | C6 H12 Br3 N2 Pb | P n m a | 7.941; 9.783; 16.168 90; 90; 90 | 1256 | Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C, 2021, 125, 10850-10859 |
1562677 | CIF | C7 H12 Br3 N2 Pb | P b c a | 17.6424; 7.7315; 19.1592 90; 90; 90 | 2613.36 | Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C, 2021, 125, 10850-10859 |
1562678 | CIF | C10 H23 Br3 N2 O Pb | P 1 21/c 1 | 10.2578; 23.1688; 7.7621 90; 101.481; 90 | 1807.8 | Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission The Journal of Physical Chemistry C, 2021, 125, 10850-10859 |
1562679 | CIF | C9 H6 Cl2 I N3 S | I b a 2 | 29.5021; 9.0794; 9.482 90; 90; 90 | 2539.86 | Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene Chemical Science, 2021 |
1562680 | CIF | C21 H24 Br N3 O5 Si | P -1 | 8.0355; 11.4221; 13.059 105.984; 104.098; 96.492 | 1096.49 | Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene Chemical Science, 2021 |
1562681 | CIF | C222 H202 N9 O28 Pt2 | P -1 | 18.7348; 21.8196; 27.4073 93.167; 101.052; 107.422 | 10415.3 | Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression Chemical Science, 2021 |
1562682 | CIF | C215.33 H189.33 N10 O30.5 Pt2 | P -1 | 18.6373; 22.054; 27.1149 93.016; 101.669; 106.888 | 10369.9 | Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression Chemical Science, 2021 |
1562683 | CIF HKL | C30 H38 Cu2 N4 O19 | I 1 2/m 1 | 8.8717; 18.8801; 9.9362 90; 100.916; 90 | 1634.19 | Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride Transition Metal Chemistry, 2021, 46, 283-290 |
1562684 | CIF | C24 H20 Cl3 N4 O0.6 | P -1 | 7.047; 8.9611; 9.4376 76.52; 71.24; 86.47 | 548.7 | Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating The Journal of Physical Chemistry C, 2021, 125, 10991-10997 |
1562685 | CIF | C12 H10 Cl1.19 N2 O0.4 | C 1 2/m 1 | 7.0475; 27.97; 11.386 90; 102.511; 90 | 2191.1 | Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating The Journal of Physical Chemistry C, 2021, 125, 10991-10997 |
1562686 | CIF | C90 H54 Br6 I2 N12 O12 | P 1 21/n 1 | 12.102; 23.347; 31.702 90; 99.798; 90 | 8827 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562687 | CIF | C90 H60 Br6 N12 O15 | P 1 21 1 | 14.159; 23.995; 14.229 90; 104.068; 90 | 4689 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562688 | CIF | C90 H54 Br2 I6 N12 O12 | P 1 21/n 1 | 12.1313; 23.4871; 31.769 90; 99.44; 90 | 8929.3 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562689 | CIF | C150 H108 Br6 N12 O27 | P -1 | 14.4602; 21.9065; 25.836 106.98; 100.14; 109.181 | 7049.7 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562690 | CIF | C233 H147 Br12 N24 O49 | P -1 | 21.62; 25.189; 26.682 99.495; 108.239; 105.86 | 12767 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562691 | CIF | C100 H65 Br6 N12 O15 | C 1 2 1 | 18.8016; 21.9859; 28.453 90; 108.666; 90 | 11143 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
1562692 | CIF | C126 H108 O24 | P -1 | 15.46; 17.12; 20.31 76.74; 69.11; 72.2 | 4737.81 | Fernandez-Bartolomé, Estefania; Gamonal, Arturo; Santos, Jose; Khodabakhshi, Saeed; Rodriguez, Eider; Sañudo, E. Carolina; Martín, Nazario; Sanchez Costa, Jose Playing with the Weakest Supramolecular Interactions in a 3D Crystalline Hexakis[60]Fullerene Induces Control over Hydrogenation Selectivity Chemical Science, 2021 |
1562693 | CIF | C126 H108 O24 | P -1 | 15.48; 17.08; 20.49 77.04; 69.9; 71.44 | 4782.64 | Fernandez-Bartolomé, Estefania; Gamonal, Arturo; Santos, Jose; Khodabakhshi, Saeed; Rodriguez, Eider; Sañudo, E. Carolina; Martín, Nazario; Sanchez Costa, Jose Playing with the Weakest Supramolecular Interactions in a 3D Crystalline Hexakis[60]Fullerene Induces Control over Hydrogenation Selectivity Chemical Science, 2021 |
1562694 | CIF | C94 H56 Eu2 F18 N6 O16 S6 | C 1 2/c 1 | 36.038; 19.4536; 14.1461 90; 109.424; 90 | 9352.9 | Suko, Natsumi; Itamoto, Hideki; Okayasu, Yoshinori; Okura, Naoya; Yuasa, Junpei Helix-mediated over 1 nm-range chirality recognition by ligand-to-ligand interactions of dinuclear helicates Chemical Science, 2021 |
1562695 | CIF | C52 H32 Fe2 | P 1 21/c 1 | 10.6986; 10.1128; 15.0273 90; 94.84; 90 | 1620.05 | Metzelaars, Marvin; Schneider, Claus M.; Rawson, Jeff; Bürgler, Daniel E.; Sanz, Sergio; Matthes, Frank; Kögerler, Paul; Hattori, Takuma; Schleicher, Sebastian; Borca, Bogdana Cyclophane with Eclipsed Pyrene Units Enables Construction of Spin Interfaces with Chemical Accuracy Chemical Science, 2021 |
1562696 | CIF | C36 H26 Fe2 | P 1 21/c 1 | 11.1819; 7.9345; 14.519 90; 100.936; 90 | 1264.77 | Metzelaars, Marvin; Schneider, Claus M.; Rawson, Jeff; Bürgler, Daniel E.; Sanz, Sergio; Matthes, Frank; Kögerler, Paul; Hattori, Takuma; Schleicher, Sebastian; Borca, Bogdana Cyclophane with Eclipsed Pyrene Units Enables Construction of Spin Interfaces with Chemical Accuracy Chemical Science, 2021 |
1562742 | CIF | C68 H100 F4 N6 O21 S4 | C 1 2 1 | 32.412; 6.476; 23.549 90; 132.313; 90 | 3655 | Zhang, Dongfeng; Li, Peng; Gao, Yongxin; Song, Yaoyao; Zhu, Yaqin; Su, Hong; Yang, Beibei; Li, Li; Li, Gang; Gong, Ningbo; Lu, Yang; Shao, Huanjie; Yu, Chunrong; Huang, Haihong Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia Journal of Medicinal Chemistry, 2021 |
1562743 | CIF | C17 H24 O5 | P 1 21 1 | 5.9932; 14.6831; 19.3382 90; 94.406; 90 | 1696.71 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562744 | CIF | C34 H54 O13 | C 2 2 21 | 7.7064; 37.225; 12.4547 90; 90; 90 | 3572.9 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562745 | CIF | C18 H26 O5 | P 21 21 21 | 8.7335; 12.167; 16.1121 90; 90; 90 | 1712.08 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562746 | CIF | C17 H26 O6 | P 21 21 21 | 6.0582; 12.5066; 22.5946 90; 90; 90 | 1711.94 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562747 | CIF | C17 H22 O6 | P 21 21 21 | 6.1916; 13.7904; 18.8869 90; 90; 90 | 1612.65 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562748 | CIF | C15 H22 O4 | P 1 21 1 | 6.3429; 12.3949; 8.7256 90; 99.915; 90 | 675.76 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
1562749 | CIF | C15 H24 O3 | P 21 21 2 | 12.1025; 16.7657; 7.1219 90; 90; 90 | 1445.08 | Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>. Journal of natural products, 2021, 84, 1626-1637 |
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