Crystallography Open Database

Result: there are 13470 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
1571335 CIFC17 H16 N2P 21 21 225.8699; 14.53966; 7.44906
90; 90; 90		2801.89Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme
Axially-chiral boramidine for detailed (chir)optical studies.
Chemical science, 2024, 15, 6530-6535
1571336 CIFC69 H67 Cl2 Si4 Sn2P 1 21/c 114.6488; 23.2014; 18.0516
90; 95.193; 90		6110.06Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571337 CIFC69 H67 Br2 Si4 Sn2P 1 21/c 114.5967; 23.35; 18.0604
90; 94.819; 90		6133.8Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571338 CIFC54 H56 O2 Si4 SnP -111.2316; 12.9893; 17.563
70.964; 75.647; 84.203		2345.98Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571339 CIFC54 H52 Si4 SnP 1 21/c 110.8346; 15.7565; 26.9143
90; 90.212; 90		4594.65Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571340 CIFC54 H52 Si4 Sn2P -110.0462; 10.6969; 12.2851
81.137; 74.219; 66.744		1165.58Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571341 CIFC56 H60 Si4 SnP -111.5084; 13.1355; 17.4215
71.074; 75.05; 84.125		2406.38Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Chemical science, 2024, 15, 7072-7078
1571342 CIFC90.5 H112 Ce O10 Si4P -114.49307; 14.6781; 20.2591
89.6876; 88.754; 89.3655		4308.39Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571343 CIFC52 H77 O10 Si3 TbP -113.9674; 18.1707; 21.7736
89.0799; 88.765; 87.017		5516.7Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571344 CIFC86 H85 O6 Si3 TbP -111.1371; 14.2669; 24.2013
106.086; 99.498; 93.6846		3619.56Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571345 CIFC66 H54 N3 O3 Si3 TbP 1 21/n 113.79296; 22.3194; 18.4603
90; 91.7441; 90		5680.38Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571346 CIFC86 H85 Ce O6 Si3P -111.2033; 14.3534; 24.5094
106.235; 99.3584; 93.8891		3706.91Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571347 CIFC98.8 H149.6 K O18.2 Si4 TbP 63 2 214.7864; 14.7864; 55.7285
90; 90; 120		10552Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571348 CIFC86 H85 O6 Pr Si3P -111.1967; 14.3423; 24.4587
106.237; 99.362; 93.699		3695.7Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571349 CIFC88 H128 Ce K O15.5 Si4P 63 2 214.87393; 14.87393; 55.4259
90; 90; 120		10619.3Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571350 CIFC102 H108 Ce O10 Si4P 21 21 2115.94855; 22.45159; 25.0337
90; 90; 90		8963.82Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571351 CIFC87 H73.5 N4.5 O4 Si4 TbP 1 21/c 117.6194; 13.8469; 31.8914
90; 91.3763; 90		7778.4Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571352 CIFC92 H81 K N7 O4 Pr Si4P 1 21/n 113.6564; 43.2742; 14.2403
90; 100.185; 90		8282.97Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571353 CIFC168 H142 K2 N4 O9 Si8 Tb2P -114.6865; 15.3137; 18.9586
87.191; 67.976; 65.256		3560.2Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571354 CIFC88.5 H72 K O4 Si4 TbP -114.0838; 14.2282; 21.775
77.38; 74.179; 63.234		3725Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Chemical science, 2024, 15, 6874-6883
1571356 CIFC33 H35 N9 O4P 1 21/c 119.0635; 15.8724; 21.4307
90; 91.957; 90		6480.79Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571357 CIFC45 H43 N9 O4P -110.0108; 12.9368; 17.2186
105.174; 98.881; 107.685		1983.04Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571358 CIFC40 H40 Br N9 O4P -111.1997; 11.6776; 15.8142
74.25; 73.224; 70.731		1833.45Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571359 CIFC34 H37 N9 O4P 21 21 224.616; 13.0934; 9.9979
90; 90; 90		3222.39Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571360 CIFC34.5 H38 Cl N9 O5P c c n14.2497; 36.7753; 14.495
90; 90; 90		7595.92Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571361 CIFC36.25 H42 N9 O4.5P 62 2 217.0775; 17.0775; 48.3005
90; 90; 120		12199.2Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1571362 CIFC157 H222 N66 O60.5 Pd8 S4P -118.719; 21.435; 30.531
72.94; 89.08; 88.27		11706Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi
A water-soluble Pd<sub>4</sub> molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.
Chemical science, 2024, 15, 3616-3624
1571363 CIFC57 H100 Fe K N2 O9 SiP 1 21/n 124.228; 19.8535; 27.1355
90; 114.199; 90		11905.5Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571364 CIFC35 H57 Fe N4 Si2P 1 21/n 110.6104; 20.3504; 17.3268
90; 95.909; 90		3721.4Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571365 CIFC36 H60 Fe N4 Si2P -18.6993; 12.0566; 18.0449
88.974; 82.392; 83.828		1865.07Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571366 CIFC39 H68 Fe N4 Si3P -110.38; 11.5329; 20.2705
76; 82.547; 72.992		2247Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571367 CIFC35 H57 Fe N3 Si2P b c n10.1151; 17.6923; 20.5843
90; 90; 90		3683.75Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571368 CIFC56 H88 Fe K N2 O8P -113.0503; 13.4395; 20.4096
83.732; 71.934; 66.707		3125.4Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571369 CIFC41 H62 Fe N4 Si2P 1 21/n 111.9946; 19.7217; 17.1523
90; 95.257; 90		4040.38Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571370 CIFC14 H11 N O5P 21 21 214.00906; 11.18764; 28.593
90; 90; 90		1282.45Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar
Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.
Chemical science, 2024, 15, 3578-3587
1571371 CIFC14 H10 Br0.1 N0.9 O4.8P 21 21 214.0056; 11.2133; 28.6053
90; 90; 90		1284.84Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar
Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.
Chemical science, 2024, 15, 3578-3587
1571372 CIFC15 H13 N O5P 16.9794; 7.6259; 12.3471
93.144; 97.362; 94.061		648.752Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar
Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.
Chemical science, 2024, 15, 3578-3587
1571373 CIFC15 H13 N O5P 21 21 213.9536; 11.245; 30.6382
90; 90; 90		1362.12Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar
Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.
Chemical science, 2024, 15, 3578-3587
1571375 CIFC25 H25.17 N O2.08P 31 2 111.43405; 11.43405; 25.89293
90; 90; 120		2931.65Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin
Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.
Chemical science, 2024, 15, 6884-6890
1571399 CIFF6 O3 Pb2 Se SiP n m a13.8153; 5.447; 9.6098
90; 90; 90		723.16Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.
Chemical science, 2024, 15, 7104-7110
1571400 CIFC6 H5.5 N0.5 OP b c m9.2665; 16.7883; 6.7319
90; 90; 90		1047.3Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng
Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.
Chemical science, 2024, 15, 6515-6521
1571401 CIFC25 H25 B F4 N O PP 1 21/c 110.8146; 14.7684; 15.0422
90; 93.05; 90		2399.05Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng
Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.
Chemical science, 2024, 15, 6515-6521
1571402 CIFC15 H11 Br0.97 N O3P -17.4015; 8.5478; 11.0934
96.71; 92.275; 111.131		647.62Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
1571403 CIFC21 H16 Br N O3P 1 21 19.5671; 6.22015; 14.7354
90; 104.31; 90		849.68Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
1571404 CIFC22 H20 Br2 N2 O6P 1 21 18.6432; 5.5418; 22.9285
90; 99; 90		1084.73Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
1571405 CIFC15 H11 Br0.97 N O3P 1 21/c 17.3573; 8.0361; 21.7154
90; 93.798; 90		1281.08Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
1571406 CIFC34 H28 Br2 N3 O6P 21 21 216.3065; 13.7236; 34.6883
90; 90; 90		3002.2Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
1571408 CIFC59 H44 F6 O7 S4P b c n23.6038; 12.3774; 17.1095
90; 90; 90		4998.6Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua
Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.
Chemical science, 2024, 15, 6943-6948
1571409 CIFC40 H31 P SP 1 21 18.1621; 11.298; 16.5498
90; 94.61; 90		1521.21Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua
Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.
Chemical science, 2024, 15, 6943-6948
1571410 CIFC39 H29 P SP 111.039; 15.1879; 16.0708
112.211; 104.135; 103.663		2251.2Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua
Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.
Chemical science, 2024, 15, 6943-6948

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!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.