Crystallography Open Database

Result: there are 13493 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.

Searching journal of publication like 'Chemical science'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 270 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1570109 CIFC180 H288 Cu57 F2 O42 P6 V6P 1 21/n 120.003; 19.6485; 33.29
90; 95.12; 90
13031.7Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570110 CIFC132 H218 Cu37 O53 P6 V12R 3 c :H20.1642; 20.1642; 100.293
90; 90; 120
35315.3Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570111 CIFC180 H288 Cu57 F2 O42 P6 V6P 1 21/n 120.0446; 19.6458; 33.3122
90; 95.159; 90
13064.9Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570112 CIFC252 H330 Cu56 O40 P10P -117.803; 20.26; 25.068
89.93; 76.441; 63.93
7842Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570113 CIFC192 H264 Cu56 F Na O48 P12C 1 2/c 133.9064; 29.8892; 25.6843
90; 99.145; 90
25699Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570114 CIFC180 H288 Cu56 F K O42 P12C 1 2/c 133.03; 22.4133; 35.97
90; 97.72; 90
26388Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570115 CIFC216 H276 Cu56 F Na O48 P12P -119.933; 20.066; 20.977
64.034; 64.514; 74.588
6778.3Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570116 CIFC180 H288 Cu56 F Na O42 P12P 1 21/n 120.0489; 19.6875; 33.1286
90; 94.766; 90
13031.1Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Chemical science, 2023, 14, 12637-12644
1570117 CIFC22 H39 Ir O2 P2P 1 21/c 116.5349; 10.5849; 15.6632
90; 115.113; 90
2482.2Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570118 CIFC30 H43 F5 I Ir O4 P2P -110.644; 10.798; 16.58
88.31; 84.52; 68.64
1766.6Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570119 CIFC22 H41 Ir O2 P2P 1 21/c 116.656; 10.538; 15.607
90; 114.75; 90
2488Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570120 CIFC22 H41 Ir O2 P2P 1 21/c 116.639; 10.593; 15.698
90; 114.88; 90
2510Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570121 CIFC22 H41 Ir O2 P2P 1 21/c 116.607; 10.791; 15.985
90; 115.07; 90
2595Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570122 CIFC30 H41 F5 I Ir O4 P2P -110.62; 10.6749; 16.4369
87.8506; 84.0788; 68.7007
1726.87Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.
Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.
Chemical science, 2023, 14, 12308-12320
1570123 CIFC18 H10 O4P 21 21 213.67957; 12.2687; 27.5101
90; 90; 90
1241.9Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570124 CIFC20 H14 O4P -13.70624; 9.6097; 10.9769
104.134; 97.329; 100.536
366.59Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570125 CIFC18 H6 F4 O4P -16.17216; 7.93147; 14.13554
76.8037; 82.2893; 87.7961
667.609Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570126 CIFC19 H8 F4 O4P 1 21/c 18.08386; 6.06732; 29.2397
90; 97.194; 90
1422.84Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570127 CIFC30 H28 O4P 1 21/n 15.36368; 46.3905; 8.9511
90; 93.475; 90
2223.15Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570128 CIFC18 H2 F8 O4P 1 21/c 127.7976; 4.71068; 10.7649
90; 100.343; 90
1386.71Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570129 CIFC26 H14 O4P 1 21/c 18.99456; 6.49263; 15.52347
90; 104.184; 90
878.909Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
Chemical science, 2023, 14, 12205-12218
1570130 CIFC29 H23 N O4P -110.0658; 10.9123; 11.34
112.602; 91.909; 104.218
1103.3Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao
Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.
Chemical science, 2023, 14, 11850-11857
1570131 CIFC34 H29 N O4P -18.5398; 10.1848; 16.9463
95.502; 95.621; 113.78
1327.39Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao
Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.
Chemical science, 2023, 14, 11850-11857
1570132 CIFC68 H50 Br2 O12P -18.6733; 17.8722; 19.6955
66.991; 86.552; 87.993
2804.82Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao
Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.
Chemical science, 2023, 14, 11850-11857
1570133 CIFC29 H23 N O4P n a 2120.38188; 10.2892; 21.05443
90; 90; 90
4415.39Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao
Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.
Chemical science, 2023, 14, 11850-11857
1570134 CIFC59 H44 Cl2 N4 O3P -111.939; 12.0965; 17.2673
103.388; 108.096; 95.332
2269Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.
Chemical science, 2023, 14, 12246-12254
1570135 CIFC79 H53 Cl3 N6 O3P 1 21/n 113.0796; 32.0909; 13.9618
90; 97.426; 90
5811.1Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.
Chemical science, 2023, 14, 12246-12254
1570140 CIFC2.08 H2.24 N0.32 O0.48P -17.7425; 8.7545; 18.745
101.445; 91.78; 93.333
1242Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta
Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1<i>H</i>)-ones.
Chemical science, 2023, 14, 12541-12547
1570141 CIFC12 H23 B2 I2 N5P 1 21/c 110.2464; 14.259; 13.0316
90; 103.321; 90
1852.7Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.
Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.
Chemical science, 2023, 14, 12041-12048
1570142 CIFC6 H8 B2 I2 N4P -17.6116; 7.7121; 10.8808
102.544; 91.351; 112.43
572.28Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.
Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.
Chemical science, 2023, 14, 12041-12048
1570143 CIFC9 H11 B2 I N6C 1 2/c 115.8673; 11.135; 15.4788
90; 98.15; 90
2707.2Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.
Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.
Chemical science, 2023, 14, 12041-12048
1570144 CIFC20 H24 B2 N6P n a 2111.6629; 8.3625; 19.7736
90; 90; 90
1928.5Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.
Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.
Chemical science, 2023, 14, 12041-12048
1570153 CIFC8 H4 Cl F8 N O2 SP 1 21/c 18.9467; 10.7344; 12.9509
90; 101.742; 90
1217.74Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi
Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ<sup>6</sup>-sulfanes to tetrafluoroethylene.
Chemical science, 2023, 14, 12379-12385
1570158 CIFC18 H33 B F3 O PP 1 21/n 19.478; 13.1121; 15.943
90; 91.183; 90
1980.9Leung, Vincent Ming-Yau; Wong, Hong-Chai Fabio; Pook, Chun-Man; Tse, Ying-Lung Steve; Yeung, Ying-Yeung
Trialkylphosphonium oxoborates as C(sp<sup>3</sup>)-H oxyanion holes and their application in catalytic chemoselective acetalization.
Chemical science, 2023, 14, 12684-12692
1570159 CIFC20 H22 F2 O4P -17.4592; 11.1811; 12.5405
67.082; 73.561; 80.326
921.98Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo
Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.
Chemical science, 2023, 14, 13007-13013
1570160 CIFC16 H12 F2 O3P n a 2129.2415; 7.5874; 6.0208
90; 90; 90
1335.82Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo
Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.
Chemical science, 2023, 14, 13007-13013
1570161 CIFC16 H16 F2 O3P n a 2131.826; 5.2173; 8.1338
90; 90; 90
1350.6Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo
Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.
Chemical science, 2023, 14, 13007-13013
1570162 CIFC28 H46 Br2 Fe P2 SP -117.1165; 19.8953; 20.744
89.485; 71.022; 89.93
6679.9Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo
Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.
Chemical science, 2023, 14, 13007-13013
1570163 CIFC124 H176 Al3 O3 U3P 1 21/m 111.7527; 28.5642; 17.9883
90; 106.088; 90
5802.3Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570164 CIFC39 H56 Ga O UP -19.6007; 12.037; 16.215
97.253; 97.094; 99.358
1814.2Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570165 CIFC30 H44 O UP 1 21/n 18.7245; 33.797; 10.1074
90; 111.688; 90
2769.3Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570166 CIFC39 H59 Al O UP -19.607; 11.8205; 16.2324
96.772; 97.569; 99.253
1785.19Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570167 CIFC29 H41 I O UP 1 21/n 110.0045; 18.413; 15.158
90; 94.813; 90
2782.5Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570168 CIFC31 H46 O UP -18.9923; 17.002; 19.547
108.404; 95.865; 90.279
2818.6Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570169 CIFC33 H50 O2 UP -110.0523; 11.2703; 14.4867
91.227; 106.016; 95.893
1567.1Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Chemical science, 2023, 14, 12255-12263
1570170 CIFC11 H14 B F2 N OP 21 21 216.4333; 11.2099; 15.6487
90; 90; 90
1128.53Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik
Regioselective <i>ortho</i> halogenation of <i>N</i>-aryl amides and ureas <i>via</i> oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.
Chemical science, 2023, 14, 13429-13436
1570171 CIFC19 H19 Br O5P 1 21 16.748; 13.0022; 10.0405
90; 96.872; 90
874.61Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan
Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.
Chemical science, 2023, 14, 12598-12605
1570172 CIFC19 H18 O6P 21 21 216.9574; 10.4076; 22.6105
90; 90; 90
1637.22Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan
Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.
Chemical science, 2023, 14, 12598-12605
1570173 CIFC19 H20 O6P 21 21 216.6884; 7.0394; 35.4914
90; 90; 90
1671.02Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan
Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.
Chemical science, 2023, 14, 12598-12605
1570174 CIFC13 H15 F O2P 1 21 15.7657; 8.4827; 12.1582
90; 99.606; 90
586.3Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng
Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.
Chemical science, 2023, 14, 12676-12683

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 270 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!