Crystallography Open Database

Result: there are 528227 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.

Displaying all data in COD

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 10565 | 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
1501753 CIFC12 H13 N3P 1 21/c 110.2495; 6.8618; 15.9772
90; 101.686; 90
1100.39Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501754 CIFC12 H13 N3P 1 21/n 18.9832; 12.6212; 9.6863
90; 92.414; 90
1097.25Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501755 CIFC10 H9 N3P -18.0083; 8.1614; 8.1965
85.25; 62.613; 74.373
457.56Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501756 CIFCl4 Cs2 O2 UC 1 2/m 111.7882; 7.6411; 5.7686
90; 100.438; 90
511.01Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan
Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density.
The journal of physical chemistry. A, 2011, 115, 13016-13023
1501757 CIFB3 Ce Cl D12 LiI -4 3 m11.5917; 11.5917; 11.5917
90; 90; 90
1557.55Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
The Journal of Physical Chemistry C, 2011, 115, 23591
1501758 CIFB3 Ce Cl D12 LiI -4 3 m11.665; 11.665; 11.665
90; 90; 90
1587.3Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
The Journal of Physical Chemistry C, 2011, 115, 23591
1501759 CIFC10 H16 N6 O4P b c a16.138; 7.0036; 22.75
90; 90; 90
2571.3Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501760 CIFC18 H14 N4 O4P 1 21/c 110.9187; 10.9859; 14.7065
90; 109.838; 90
1659.38Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501761 CIFC18 H14 N4 O4P 1 21/n 19.2057; 9.0165; 21.1691
90; 102.445; 90
1715.82Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501762 CIFC18 H14 N4 O4P -17.865; 9.6359; 23.304
89.901; 88.777; 70.877
1668.26Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501763 CIFC20 H18 N4 O4P -19.6792; 10.0246; 10.2564
108.14; 97.415; 104.581
891.7Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501764 CIFC20 H30 N4 O4P n m a11.6274; 6.7904; 26.582
90; 90; 90
2098.8Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501765 CIFC12 H18 N4 O4P 1 21/c 18.3647; 21.533; 7.79
90; 92.707; 90
1401.5Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501766 CIFC14 H24 N6 O4P 1 21/c 112.7313; 15.6701; 9.4477
90; 110.843; 90
1761.48Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501767 CIFC10 H12 Cl2 N4 O6P 1 21/n 110.3054; 4.4342; 32.6413
90; 97.77; 90
1477.89Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501768 CIFC18 H19 N3 OP -16.556; 7.697; 17.438
93.754; 97.256; 116.531
773.58Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle
Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores
The Journal of Physical Chemistry C, 2011, 115, 23955
1501769 CIFC18 H19 N3P -17.6934; 9.7091; 11.3685
84.576; 73.338; 75.881
788.67Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle
Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores
The Journal of Physical Chemistry C, 2011, 115, 23955
1501770 CIFC54 H80 N9 O12P 1 21/c 116.086; 21.066; 18.104
90; 100.27; 90
6037Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino
In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile.
The journal of physical chemistry. B, 2011, 115, 13026-13036
1501771 CIFC463.98 H239.98 N32 O313.66 Zn52F m -3 m26.4461; 26.4461; 26.4461
90; 90; 90
18496.3Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz
Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework.
The journal of physical chemistry. A, 2011, 115, 11519-11524
1501772 CIFC32 H50 Li O4C 1 2/c 119.191; 9.8248; 17.327
90; 110.442; 90
3061.2de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert
On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure.
The journal of physical chemistry. B, 2011, 115, 14610-14616
1501773 CIFC22 H12 S4C 1 2/c 138.113; 5.8256; 7.8705
90; 93.77; 90
1743.7Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi
Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors
The Journal of Physical Chemistry C, 2011, 115, 23984
1501774 CIFC29 H25 F4 N8 S2P -17.6537; 12.4352; 16.3279
73.674; 85.27; 76.176
1447.96von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie
Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study.
The journal of physical chemistry. A, 2011, 115, 14637-14646
1501775 CIFC36 H53 N O8P -16.43; 10.419; 26.21
98.166; 90.558; 91.15
1737.6Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne
Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs.
Langmuir : the ACS journal of surfaces and colloids, 2011, 27, 2844-2853
1501776 CIFC8 H13 N O5P 1 1 214.819; 9.239; 10.384
90; 90; 97.16
458.72Nishiyama, Yoshiharu; Noishiki, Yasutomo; Wada, Masahisa
X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution
Macromolecules, 2011, 44, 950
1501777 CIFC18 H16 SiP 1 21/c 113.613; 18.074; 6.101
90; 98.365; 90
1485.1Liu, Jianzhao; Lam, Jacky W. Y.; Jim, Cathy K. W.; Ng, Jason C. Y.; Shi, Jianbing; Su, Huimin; Yeung, Kwok Fai; Hong, Yuning; Faisal, Mahtab; Yu, Yong; Wong, Kam Sing; Tang, Ben Zhong
Thiol−Yne Click Polymerization: Regio- and Stereoselective Synthesis of Sulfur-Rich Acetylenic Polymers with Controllable Chain Conformations and Tunable Optical Properties
Macromolecules, 2011, 44, 68
1501778 CIFC56 H52 B2 Fe2 S4P -17.7902; 10.2879; 15.8076
102.028; 93.015; 106.952
1176.51Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder
Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes
Macromolecules, 2011, 44, 95
1501779 CIFC82 H92 B2 Fe2 S4P -19.777; 11.5826; 16.0262
81.645; 75.313; 83.325
1730.94Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder
Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes
Macromolecules, 2011, 44, 95
1501780 CIFC36 H40 Cl2 N2 O4 ZrC 1 2/c 123.2628; 8.7389; 16.6065
90; 93.635; 90
3369.2Theaker, Giles W.; Morton, Colin; Scott, Peter
Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen
Macromolecules, 2011, 44, 1393
1501781 CIFC24 H40 N5 ZrP -18.8164; 9.4888; 16.959
75.473; 75.003; 75.112
1298.3Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio
New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene
Macromolecules, 2011, 44, 1934
1501782 CIFC24 H40 N5 TiP -18.743; 9.44; 16.825
96.416; 104.72; 105.838
1267.4Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio
New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene
Macromolecules, 2011, 44, 1934
1501783 CIFC20 H32 N5 TiP 1 21/n 113.614; 10.374; 15.394
90; 98.326; 90
2151.2Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio
New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene
Macromolecules, 2011, 44, 1934
1501784 CIFC14 H20 Cl2 N2 TiP 1 21/c 112.4924; 15.1082; 25.6216
90; 96.8486; 90
4801.26Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Macromolecules, 2011, 44, 1986
1501785 CIFC20 H11 Cl2 N2 TiP b c a14.606; 12.1974; 20.733
90; 90; 90
3693.69Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Macromolecules, 2011, 44, 1986
1501786 CIFC19 H26 Cl2 N2 TiP 1 21/c 16.694; 17.8966; 17.2184
90; 93.3214; 90
2059.3Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Macromolecules, 2011, 44, 1986
1501787 CIFC14 H20 Cl2 N2 TiP -16.6559; 10.1468; 11.8754
88.737; 83.429; 79.4303
783.23Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Macromolecules, 2011, 44, 1986
1501788 CIFC18 H28 Cl2 N2 TiC 1 2/c 130.917; 10.5621; 12.0811
90; 92.5986; 90
3941.01Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Macromolecules, 2011, 44, 1986
1501789 CIFC462 H376 O12 Si8P -121.6705; 22.7273; 27.648
70.874; 88.818; 64.954
11544.1Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.
Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes
Macromolecules, 2011, 44, 3425
1501790 CIFC447 H394 O12 Si8P 4/n :232.6146; 32.6146; 41.178
90; 90; 90
43802Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.
Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes
Macromolecules, 2011, 44, 3425
1501791 CIFC7 H12 O4P 1 21/c 16.446; 5.578; 22.186
90; 101.943; 90
780.4Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan
Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation
Macromolecules, 2011, 44, 2568
1501792 CIFC36 H36 Cl Cr N2 O6P 1 21/c 117.268; 18.138; 11.499
90; 106.48; 90
3454Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan
Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation
Macromolecules, 2011, 44, 2568
1501793 CIFC26 H44 F6 O6 P2 Pd S2P 21 21 219.1472; 11.3899; 32.6773
90; 90; 90
3404.5Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan
Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters
Macromolecules, 2011, 44, 4159
1501794 CIFC24 H24 N4 O10P 1 21/c 110.3089; 14.8531; 15.1994
90; 100.612; 90
2287.51Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas
Cocrystals of quercetin with improved solubility and oral bioavailability.
Molecular pharmaceutics, 2011, 8, 1867-1876
1501795 CIFC21 H16 N2 O8P -14.978; 12.636; 15.571
110.53; 97.63; 99.39
885.6Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas
Cocrystals of quercetin with improved solubility and oral bioavailability.
Molecular pharmaceutics, 2011, 8, 1867-1876
1501796 CIFC15 H22 O3P 1 21 16.7198; 12.2064; 8.2198
90; 107.746; 90
642.14Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng
Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava.
Journal of natural products, 2011, 74, 169-174
1501797 CIFC12 H17 N3 O7P -18.933; 9.339; 9.9444
116.449; 100.762; 92.763
721.5Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng
N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa.
Journal of natural products, 2011, 74, 32-37
1501798 CIFC19 H23 N O5P 1 21 111.916; 6.673; 21.319
90; 90.46; 90
1695.1He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang
Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha.
Journal of natural products, 2011, 74, 181-184
1501799 CIFC28 H38 O9P 21 21 219.393; 14.905; 19.192
90; 90; 90
2686.9Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing
Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.
Journal of natural products, 2011, 74, 1268-1271
1501800 CIFC14 H15 N O7P 1 21 19.2997; 6.9294; 10.8143
90; 112.279; 90
644.86McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram
Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor.
Journal of natural products, 2011, 74, 106-108
1501801 CIFC20 H30 O2P 21 21 217.7877; 13.9979; 15.583
90; 90; 90
1698.7Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios
Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis.
Journal of natural products, 2011, 74, 213-222
1501802 CIFC30 H46 O4 SI 1 2 111.5246; 5.8509; 42.613
90; 93.203; 90
2868.9Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf
A highly conjugated dihydroxylated C28 steroid from a myxobacterium.
Journal of natural products, 2011, 74, 1281-1283

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 10565 | 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!