Crystallography Open Database
Search results
Result: there are 669 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'New Journal of Chemistry' volume of publication is 39
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7054556 | CIF | C12 H18 I O4 P | C 1 2/c 1 | 34.091; 11.245; 8.001 90; 97.511; 90 | 3041 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
7054557 | CIF | C20 H27 O4 P | C 1 2/c 1 | 33.71; 6.824; 17.253 90; 90.834; 90 | 3968 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
7054558 | CIF | C39 H48 N O4 P | P 1 21/c 1 | 13.664; 10.956; 23.642 90; 98.563; 90 | 3500 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
7054559 | CIF | C21 H27 O5 P | P -1 | 6.69; 9.064; 17.502 79.175; 89.61; 82.167 | 1032.5 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
7054560 | CIF | C19 H23 O5 P | C 1 2/c 1 | 41.181; 11.01; 8.186 90; 92.162; 90 | 3709 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
7054561 | CIF | C8 H6.5 N5 O1.75 | C 1 2/c 1 | 26.008; 6.836; 22.709 90; 123.384; 90 | 3371.3 | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb) New J. Chem., 2015, 39, 1222 |
7054562 | CIF | C16 H16 Mn N10 O6 | C 1 2/c 1 | 19.315; 8.088; 11.97 90; 94.203; 90 | 1864.9 | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb) New J. Chem., 2015, 39, 1222 |
7054563 | CIF | C16 H16 N10 O6 Zn | C 1 2/c 1 | 19.02; 8.0801; 11.953 90; 94.235; 90 | 1832 | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb) New J. Chem., 2015, 39, 1222 |
7054564 | CIF | C16 H16 Cd N10 O6 | C 1 2/c 1 | 19.4542; 8.1626; 12.0696 90; 94.203; 90 | 1911.46 | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb) New J. Chem., 2015, 39, 1222 |
7054565 | CIF | C9 H8 N5 O1.5 | P 1 21/n 1 | 6.8792; 20.841; 13.359 90; 103.471; 90 | 1862.6 | Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb) New J. Chem., 2015, 39, 1222 |
7054566 | CIF | C30 H32 Br Cl2 Cu N6 | P 1 21/c 1 | 13.3142; 15.6092; 14.3394 90; 98.779; 90 | 2945.16 | Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes New J. Chem., 2015, 39, 1260 |
7054567 | CIF | C30 H32 Cl4 Cu2 N6 | P 1 21/c 1 | 25.9994; 15.1102; 17.1561 90; 107.436; 90 | 6430.2 | Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes New J. Chem., 2015, 39, 1260 |
7054568 | CIF | C29 H30 Ag Cl N6 O4 | P -1 | 10.2448; 12.581; 13.3336 71.022; 86.393; 66.479 | 1485.7 | Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes New J. Chem., 2015, 39, 1260 |
7054569 | CIF | C43 H53 B Co F4 N6 O6 P2 S2 | P 1 21/c 1 | 13.3203; 25.2381; 15.0807 90; 109.346; 90 | 4783.5 | Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions New J. Chem., 2015, 39, 1051 |
7054570 | CIF | C42 H47 B F4 N6 Ni O5 P2 S2 | P -1 | 9.43; 12.8553; 21.7668 93.409; 91.482; 111.218 | 2452.3 | Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions New J. Chem., 2015, 39, 1051 |
7054571 | CIF | C24 H34 O4 S4 | P -1 | 4.919; 7.285; 18.574 84.19; 86.42; 84.08 | 657.7 | Turbiez, Mathieu; Faye, Djibril; Leriche, Philippe; Frère, Pierre Bis-EDOT end capped by n-hexyl or n-hexylsulfanyl groups: the effect of the substituents on the stability of the oxidized states New J. Chem., 2015, 39, 1678 |
7054572 | CIF | C19 H27 F N2 O4 | P 43 | 10.1585; 10.1585; 19.0174 90; 90; 90 | 1962.5 | Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J. Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid New J. Chem., 2015, 39, 3270 |
7054573 | CIF | C32 H40 F4 N4 O7 | P 21 21 21 | 5.35; 20.2; 29.927 90; 90; 90 | 3234.2 | Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J. Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid New J. Chem., 2015, 39, 3270 |
7054574 | CIF | C17 H15 Cu N7 O8 | P 1 21/n 1 | 12.4021; 12.3286; 13.1324 90; 105.544; 90 | 1934.5 | Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya Coordination polymers with free Brønsted acid sites for selective catalysis New J. Chem., 2015, 39, 810 |
7054575 | CIF | C42 H34 Cu2 N14 O18 | P -1 | 10.272; 15.184; 16.2 100.009; 99.61; 108.045 | 2299.2 | Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya Coordination polymers with free Brønsted acid sites for selective catalysis New J. Chem., 2015, 39, 810 |
7054576 | CIF | C36 H36 N4 O12 S4 | P 1 21/c 1 | 13.0584; 17.2823; 17.4795 90; 94.228; 90 | 3934.02 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054577 | CIF | C44 H52 N4 O12 S4 | P -1 | 11.0672; 12.3077; 18.3099 101.125; 95.076; 102.421 | 2367.8 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054578 | CIF | C48 H58 N6 O12 S4 | P 42/n :2 | 13.2452; 13.2452; 14.9787 90; 90; 90 | 2627.79 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054579 | CIF | C52 H36 N4 O12 S4 | P 41 21 2 | 12.73537; 12.73537; 28.8831 90; 90; 90 | 4684.54 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054580 | CIF | C48 H60 N4 O12 S4 | P 1 21/c 1 | 27.261; 16.3468; 17.9466 90; 139.366; 90 | 5208.2 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054581 | CIF | C36 H20 N4 O12 S4 | C 1 2/c 1 | 11.2845; 18.1827; 18.8706 90; 105.953; 90 | 3722.8 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054582 | CIF | C44 H52 N4 O12 S4 | P 1 21 1 | 12.64786; 14.04823; 13.3958 90; 101.233; 90 | 2334.57 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054583 | CIF | C48 H56 N8 O12 S4 | C 1 2/m 1 | 28.7209; 19.3593; 13.9154 90; 136.11; 90 | 5364 | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation New J. Chem., 2015, 39, 1382 |
7054585 | CIF | C150.6 H206.4 N8 O14.6 | P -1 | 15.65; 17.82; 26.44 70.56; 86.08; 87.57 | 6936 | Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Pisagatti, Ilenia; Marcos, Paula Maria; Ascenso, José Rosário; Brancatelli, Giovanna; Geremia, Silvano Selective recognition of biogenic amine hydrochlorides by heteroditopic dihomooxacalix[4]arenes New J. Chem., 2015, 39, 817 |
7054586 | CIF | C26 H25 N3 O2 S | P 1 21/c 1 | 15.6352; 16.2677; 8.8947 90; 103.891; 90 | 2196.2 | Sharma, Shilpa; Pradeep, Chullikkattill. P.; Dhir, Abhimanew Dansyl-carbazole AIEE material for selective recognition of thiourea derivatives New J. Chem., 2015, 39, 1822 |
7054587 | CIF | C55 H41 Er N2 O6 | P 1 21/c 1 | 14.9946; 17.0429; 22.7907 90; 128.291; 90 | 4571.3 | Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine New J. Chem., 2015, 39, 1703 |
7054588 | CIF | C55 H41 Er N2 O6 | P -1 | 15.2886; 17.7424; 20.7735 73.91; 70.046; 68.647 | 4857.3 | Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine New J. Chem., 2015, 39, 1703 |
7054589 | CIF | C50 H44 B Cu N7 S2 | P 1 21/c 1 | 13.9619; 25.3276; 12.567 90; 104.037; 90 | 4311.3 | Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins New J. Chem., 2015, 39, 1498 |
7054590 | CIF | C60 H48 B Cu N7 S2 | P 1 21/c 1 | 17.804; 18.099; 17.81 90; 119.686; 90 | 4986 | Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins New J. Chem., 2015, 39, 1498 |
7054591 | CIF | C50 H42 B Cu N7 S2 | P 1 21/c 1 | 13.9204; 25.042; 12.6285 90; 102.523; 90 | 4297.5 | Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins New J. Chem., 2015, 39, 1498 |
7054592 | CIF | C16 H17 N O4 S | P 1 21/c 1 | 15.7805; 5.0908; 21.06 90; 110.851; 90 | 1581.06 | Ragab, Sherif Shaban; Swaminathan, Subramani; Garcia-Amorós, Jaume; Captain, Burjor; Raymo, Françisco M. Bimolecular photoactivation of NBD fluorescence New J. Chem., 2015, 39, 1570 |
7054593 | CIF | C26 H25 Cl2 N5 Ni O9 | P 1 21/c 1 | 15.5059; 11.4074; 16.1421 90; 100.036; 90 | 2811.56 | Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand New J. Chem., 2015, 39, 1734 |
7054594 | CIF | C26 H25 Cl2 Co N5 O9 | P 1 21/c 1 | 15.5452; 11.45475; 16.1105 90; 99.8494; 90 | 2826.46 | Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand New J. Chem., 2015, 39, 1734 |
7054595 | CIF | C39 H55 Cl6 N5 O8 | P -1 | 11.307; 13.8002; 17.341 70.683; 73.734; 71.237 | 2371.71 | Pike, Sarah J.; Boddaert, Thomas; Raftery, James; Webb, Simon J.; Clayden, Jonathan Participation of non-aminoisobutyric acid (Aib) residues in the 310helical conformation of Aib-rich foldamers: a solid state study New J. Chem., 2015, 39, 3288 |
7054596 | CIF | C54 H82 Cl4 P2 Ru | P 1 21/c 1 | 19.2677; 14.6496; 22.219 90; 122.706; 90 | 5277.3 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054597 | CIF | C51 H76 Cl2 P2 Ru | R -3 | 46.1591; 46.1591; 13.9447 90; 90; 120 | 25730.9 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054598 | CIF | C28 H45 Cl2 O P Ru | P 1 21/c 1 | 11.4775; 19.2194; 25.7969 90; 96.478; 90 | 5654.2 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054599 | CIF | C53 H44 Cl2 P2 Ru | P -1 | 10.2241; 12.7121; 20.0557 72.94; 76.718; 81.407 | 2415.8 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054600 | CIF | C17 H16 O | P 1 21/c 1 | 6.6764; 16.5673; 11.6107 90; 92.308; 90 | 1283.22 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054601 | CIF | C53 H80 Cl2 P2 Ru | R -3 | 47.1514; 47.1514; 13.6692 90; 90; 120 | 26318.6 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054602 | CIF | C55 H78 Cl2 P2 Ru | R -3 | 46.042; 46.042; 14.0313 90; 90; 120 | 25759.5 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054603 | CIF | C51 H75 Cl2 F P2 Ru | R -3 | 45.479; 45.479; 14.179 90; 90; 120 | 25398 | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem., 2015, 39, 1858 |
7054604 | CIF | C26 H25 N3 O4 | P -1 | 10.1589; 11.3338; 11.6688 68.322; 67.396; 82.841 | 1152.4 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054605 | CIF | C25 H24 N4 O3 | P -1 | 7.3752; 10.9275; 14.5614 101.707; 92.769; 98.544 | 1132.64 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054606 | CIF | C24 H21 N3 O2 | P -1 | 7.7356; 10.8256; 13.5508 112.683; 90.907; 107.741 | 985.67 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054607 | CIF | C32 H34 N4 O3 | P -1 | 9.5274; 10.4205; 14.7518 77.254; 82.096; 84.377 | 1411.4 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054608 | CIF | C24 H21 N3 O2 | P -1 | 7.2287; 11.0934; 14.0509 107.981; 99.534; 105.146 | 996.58 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054609 | CIF | C27 H25 N3 O6 | P -1 | 8.4482; 10.4238; 13.9303 86.458; 77.239; 86.317 | 1192.54 | Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study New J. Chem., 2015, 39, 2168 |
7054610 | CIF | C34 H36 Al2 N2 O4 | P 1 21/c 1 | 11.552; 12.366; 22.149 90; 97.83; 90 | 3134.53 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054611 | CIF | C102 H95 Al4 Cl8 N4 O8 | P b n 21 | 12.0601; 22.5938; 35.5013 90; 90; 90 | 9673.5 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054612 | CIF | C69 H100 Al2 N2 O4 | P 1 21/n 1 | 13.632; 19.128; 25.491 90; 99.037; 90 | 6564.3 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054613 | CIF | C14 H13 N O2 | C 1 2/c 1 | 22.383; 5.781; 17.844 90; 99.915; 90 | 2274.5 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054614 | CIF | C16 H17 N O2 | P 1 21/a 1 | 9.505; 11.258; 13.533 90; 109.058; 90 | 1368.76 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054615 | CIF | C14 H11 Cl2 N O2 | P 1 21/n 1 | 8.041; 8.647; 18.742 90; 95.121; 90 | 1297.94 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054616 | CIF | C30 H45 N O2 | P 1 21/c 1 | 9.96; 24.276; 12.226 90; 104.981; 90 | 2855.64 | Forder, Thomas R.; Jones, Matthew D. Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA New J. Chem., 2015, 39, 1974 |
7054617 | CIF | C48 H42 Eu2 I6 N2 O16 | P 1 21/c 1 | 8.3983; 25.31; 14.1228 90; 105.357; 90 | 2894.8 | Monteiro, Jorge H. S. K.; de Bettencourt-Dias, Ana; Mazali, Italo O.; Sigoli, Fernando A. The effect of 4-halogenobenzoate ligands on luminescent and structural properties of lanthanide complexes: experimental and theoretical approaches New J. Chem., 2015, 39, 1883 |
7054618 | CIF | C25 H26 Mo N4 O7 S | P -1 | 8.782; 11.521; 14.083 106.769; 98.537; 91.636 | 1345.3 | Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands New J. Chem., 2015, 39, 2130 |
7054619 | CIF | C24 H26 Mo N6 O7 S | P -1 | 7.3114; 13.174; 13.6623 98.512; 91.457; 90.513 | 1300.9 | Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands New J. Chem., 2015, 39, 2130 |
7054620 | CIF | C10 H13 N4 O3 Zn | P 4/n c c :2 | 13.4761; 13.4761; 27.254 90; 90; 90 | 4949.5 | Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis New J. Chem., 2015, 39, 2669 |
7054621 | CIF | C19 H33 N3 O7 | P 1 21 1 | 9.4237; 11.6936; 9.8675 90; 95.103; 90 | 1083.06 | Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers New J. Chem., 2015, 39, 3221 |
7054622 | CIF | C29 H47 N5 O9 | P 1 21 1 | 9.4408; 11.5247; 15.054 90; 91.567; 90 | 1637.3 | Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers New J. Chem., 2015, 39, 3221 |
7054623 | CIF | C39 H59 N7 O10 | C 1 2 1 | 31.232; 8.842; 18.831 90; 95.848; 90 | 5173 | Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers New J. Chem., 2015, 39, 3221 |
7054624 | CIF | C29 H45 N5 O8 | P 21 21 21 | 9.2829; 17.955; 23.143 90; 90; 90 | 3857.3 | Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers New J. Chem., 2015, 39, 3221 |
7054625 | CIF | C2 H8 O8 Zn | P 31 2 1 | 7.42; 7.42; 12.11 90; 90; 120 | 577.41 | Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer New J. Chem., 2015, 39, 2075 |
7054626 | CIF | C2 H8 O8 Zn | P 32 2 1 | 7.42; 7.42; 12.11 90; 90; 120 | 577.41 | Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer New J. Chem., 2015, 39, 2075 |
7054627 | CIF | C15 H18 Cl2 N4 O2 Pd | P -1 | 9.8262; 9.8965; 9.9887 104.009; 99.865; 110.767 | 845.09 | Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions New J. Chem., 2015, 39, 2042 |
7054628 | CIF | C15 H20 N4 O2 Pd | P 1 21/c 1 | 9.606; 15.616; 10.6058 90; 104.624; 90 | 1539.4 | Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions New J. Chem., 2015, 39, 2042 |
7054629 | CIF | C17 H24 N4 O4 Pd | P 1 21/n 1 | 10.4774; 10.9664; 16.1533 90; 99.73; 90 | 1829.31 | Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions New J. Chem., 2015, 39, 2042 |
7054630 | CIF | C17 H24 N4 O2 Pd | P 1 21/c 1 | 9.864; 10.537; 17.033 90; 106.046; 90 | 1701.4 | Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions New J. Chem., 2015, 39, 2042 |
7054631 | CIF | C41 H66 N2 O4 Ti | C 1 2/c 1 | 16.43; 26.165; 21.2458 90; 105.579; 90 | 8797.8 | Gao, Bo; Li, Xiang; Duan, Ranlong; Pang, Xuan Titanium complexes with octahedral geometry chelated by salen ligands adopting β-cis configuration for the ring-opening polymerisation of lactide New J. Chem., 2015, 39, 2404 |
7054632 | CIF | C80 H92 Eu3 N11 O38 | P 1 21/n 1 | 15.4724; 14.1459; 24.04 90; 90.188; 90 | 5261.6 | Li, Ao; Li, Liang; Lin, Zhi; Song, Lin; Wang, Zi-Hao; Chen, Qiang; Yang, Tao; Zhou, Xin-Hui; Xiao, Hong-Ping; Yin, Xiu-Ju Guest-induced reversible structural transitions and concomitant on/off luminescence switching of an Eu(iii) metal‒organic framework and its application in detecting picric acid New J. Chem., 2015, 39, 2289 |
7054634 | CIF | Dy0.5 Mn O3 Yb0.5 | P n m a | 5.8352; 7.3473; 5.2561 90; 90; 90 | 225.34 | Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies New J. Chem., 2015, 39, 2596 |
7054635 | CIF | C28 H25 F6 N5 O2 S | P 1 21/c 1 | 8.2512; 30.1101; 11.634 90; 102.212; 90 | 2825 | Guo, Jixi; Liu, Li; Jia, Dianzeng; Guo, Mingxi; Zhang, Yucai; Song, Xianli Photochromism and fluorescence modulation of pyrazolone derivatives in the solid state New J. Chem., 2015, 39, 3059 |
7054636 | CIF | C23 H23 Cl N2 O2 | P -1 | 9.2721; 10.3272; 10.7817 81.614; 81.335; 89.456 | 1009.62 | Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M. Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid New J. Chem., 2015, 39, 2657 |
7054637 | CIF | C23 H23 Cl N2 O2 | P 1 21/n 1 | 13.9521; 6.6102; 21.977 90; 106.352; 90 | 1944.9 | Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M. Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid New J. Chem., 2015, 39, 2657 |
7054638 | CIF | C14 H34 Co N4 O18 S2 | P -1 | 6.7203; 8.2504; 12.3358 84.469; 79.593; 85.31 | 668.13 | Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity New J. Chem., 2015, 39, 2682 |
7054639 | CIF | C14 H34 Cu N4 O18 S2 | P -1 | 6.8292; 8.1314; 12.3445 85.429; 81.437; 85.436 | 674.11 | Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity New J. Chem., 2015, 39, 2682 |
7054640 | CIF | C14 H32 Fe N4 O17 S2 | P 1 21/n 1 | 6.6706; 26.5804; 15.2009 90; 92.254; 90 | 2693.14 | Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity New J. Chem., 2015, 39, 2682 |
7054641 | CIF | C14 H34 N4 Ni O18 S2 | P -1 | 6.6415; 8.2264; 12.2601 84.337; 79.491; 85.886 | 654.4 | Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity New J. Chem., 2015, 39, 2682 |
7054642 | CIF | C22 H33 Co2 I3 N4 O | P 1 21/n 1 | 11.6864; 17.6541; 14.7499 90; 113.152; 90 | 2798.02 | Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand New J. Chem., 2015, 39, 2822 |
7054643 | CIF | C22 H34 Cl4 Co N4 | P 21 21 21 | 8.8736; 13.6929; 21.0647 90; 90; 90 | 2559.47 | Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand New J. Chem., 2015, 39, 2822 |
7054644 | CIF | C22 H40 Cl4 N4 O2 | P -1 | 7.9236; 10.168; 10.2931 62.925; 67.443; 69.428 | 665.97 | Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand New J. Chem., 2015, 39, 2822 |
7054645 | CIF | C22 H22 N6 O4 | P -1 | 4.8468; 9.2594; 12.245 69.536; 89.567; 85.993 | 513.51 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054646 | CIF | C24 H26 N6 O4 | P -1 | 5.5146; 6.81; 15.254 79.288; 85.259; 75.952 | 545.62 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054647 | CIF | C26 H30 N6 O4 | P -1 | 5.6196; 6.7825; 16.078 87.236; 82.669; 75.451 | 588.2 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054648 | CIF | C28 H34 N6 O4 | P -1 | 5.632; 6.845; 17.748 93.63; 98.988; 104.67 | 649.97 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054649 | CIF | C30 H38 N6 O4 | P -1 | 5.6047; 6.8589; 18.879 97.644; 91.164; 104.659 | 694.78 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054650 | CIF | C21 H20 N6 O4 | P 1 21/c 1 | 14.797; 4.5097; 29.886 90; 104.056; 90 | 1934.6 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054651 | CIF | C28 H32 N6 O8 | P -1 | 7.6142; 8.6608; 11.0348 102.357; 105.996; 93.866 | 677.09 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054652 | CIF | C24 H26 N6 O4 | P -1 | 5.0121; 7.8964; 15.1589 78.403; 88.333; 72.636 | 560.62 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054653 | CIF | C26 H30 N6 O4 | P -1 | 5.1024; 8.0128; 16.497 99.94; 93.967; 108.231 | 625.5 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054654 | CIF | C28 H34 N6 O4 | P -1 | 5.2731; 7.8464; 17.163 81.964; 88.938; 72.499 | 670.39 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054655 | CIF | C30 H38 N6 O4 | P -1 | 5.2955; 7.8185; 18.424 85.042; 83.543; 71.912 | 719.4 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054656 | CIF | C32 H40 N6 O8 | P -1 | 4.9161; 8.0077; 20.828 87.266; 88.665; 72.608 | 781.5 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
7054657 | CIF | C23 H22 N4 O4 | P 1 21/n 1 | 11.4449; 8.9002; 21.338 90; 94.855; 90 | 2165.7 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John Molecular electrostatic potential dependent selectivity of hydrogen bonding New J. Chem., 2015, 39, 822 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!