Crystallography Open Database

Result: there are 942 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 | archive of CIF files (ZIP)

Searching space group like 'P 41 21 2'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 19 | 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
2233023 CIF
HKL
Paper
C9 H10 O4P 41 21 28.1423; 8.1423; 27.6814
90; 90; 90
1835.2Portalone, Gustavo
A new polymorph of 2,6-dimethoxybenzoic acid
Acta Crystallographica Section E, 2011, 67, o3394-o3395
2233432 CIF
HKL
Paper
C12 H24 N10 O10 ZnP 41 21 212.1252; 12.1252; 14.6108
90; 90; 90
2148.1Liu, Xun-Gao; Shen, Liang; Cai, Qi-Suo; Luo, Ma
Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc
Acta Crystallographica Section E, 2012, 68, m191-m192
2233854 CIF
HKL
Paper
C19 H34 N2 SP 41 21 26.1008; 6.1008; 53.79
90; 90; 90
2002.05Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Ziauddin
1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione
Acta Crystallographica Section E, 2012, 68, o743
2235612 CIF
HKL
Paper
C17 H15 N3 O6 SP 41 21 29.6818; 9.6818; 44.017
90; 90; 90
4126Khan, Islam Ullah; Mubashar-ur-Rehman, Hafiz; Aziz, Salman; Harrison, William T. A.
3-(1<i>H</i>-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid including an unknown solvate
Acta Crystallographica Section E, 2012, 68, o2019
2235792 CIF
HKL
Paper
C16 H24 O3P 41 21 27.3359; 7.3359; 54.7419
90; 90; 90
2945.96Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Barkaoui, Latifa; Berraho, Moha
Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate
Acta Crystallographica Section E, 2012, 68, o2391
2236581 CIF
HKL
Paper
C15 H20 O4P 41 21 26.4737; 6.4737; 62.438
90; 90; 90
2616.7Liu, Ting-ting; Wu, Hai-Bo; Wang, Wen-Shu
6,8-Dihydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2012, 68, o3251
2237105 CIF
HKL
Paper
C21 H26 F3 O3 P SP 41 21 212.1339; 12.1339; 30.057
90; 90; 90
4425.3Muller, Alfred; Holzapfel, Cedric W.
(Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate
Acta Crystallographica Section E, 2013, 69, o20
2237237 CIF
HKL
Paper
C19 H15 N3 O2P 41 21 25.0314; 5.0314; 58.701
90; 90; 90
1486.01Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof
<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide
Acta Crystallographica Section E, 2013, 69, o102
2237314 CIF
HKL
Paper
C8 H8 N6 OP 41 21 29.548; 9.548; 21.957
90; 90; 90
2001.69Hernández-Gil, Javier; Ferrer, Sacramento; Ballesteros, Rafael; Castiñeiras, Alfonso
<i>N</i>-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridine-2-carboxamide
Acta Crystallographica Section E, 2013, 69, o227-o228
2237446 CIF
HKL
Paper
C32 H27 N2 O7.5P 41 21 210.6848; 10.6848; 47.9935
90; 90; 90
5479.2Chin, Jik; Koh, Dongsoo; Lough, Alan J.
2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate
Acta Crystallographica Section E, 2013, 69, o406-o407
2238246 CIF
HKL
Paper
C7 H8 N2 O2P 41 21 28.774; 8.774; 10.0282
90; 90; 90
772Haines, Alan H.; Hughes, David L.
(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbonitrile
Acta Crystallographica Section E, 2013, 69, o1104
2238354 CIF
HKL
Paper
C28 H40 N2 O2 S2P 41 21 213.8159; 13.8159; 13.5221
90; 90; 90
2581.09Walker, Ashley; Forsyth, Craig M.; Perlmutter, Patrick
2-(10',10'-Dimethyl-3'-sulfanylidene-4'-azatricyclo[5.2.1.0^1,5^]decan-2'-yl)-10,10-dimethyl-4-azatricyclo[5.2.1.0^1,5^]decane-3-thione
Acta Crystallographica Section E, 2013, 69, o1282
2239469 CIF
HKL
Paper
C24 H24 B F4 NP 41 21 29.367; 9.367; 49.137
90; 90; 90
4311Ben Ali, Karim; Retailleau, Pascal
(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-2-[(<i>R</i>)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate
Acta Crystallographica Section E, 2014, 70, o255
2239510 CIF
HKL
Paper
C28 H56 Cl4 Cu4 N4 O4P 41 21 213.9016; 13.9016; 38.834
90; 90; 90
7504.8Luo, Mei; Huang, Yong-Hua; Zhang, Jing-Cheng
Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]
Acta Crystallographica Section E, 2014, 70, m194
2239780 CIF
HKL
Paper
C8 H8 Br4 N2P 41 21 29.6858; 9.6858; 26.5116
90; 90; 90
2487.2Assoumatine, Tokouré; Stoeckli-Evans, Helen
Crystal structure of a tetrakis-substituted pyrazine compound: 2,3,5,6-tetrakis(bromomethyl)pyrazine
Acta Crystallographica Section E, 2014, 70, 51-53
2240112 CIF
HKL
Paper
C11 H19 N7 O7.5 PP 41 21 218.5564; 18.5564; 10.1139
90; 90; 90
3482.6Jasko, Maxim V.; Gurskaya, Galina V.; Kukhanova, Marina K.; Bushmarinov, Ivan S.
Crystal structure of ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate: an anti-HIV agent
Acta Crystallographica Section E, 2014, 70, 396-399
2240301 CIF
HKL
Paper
C36 H36 N4 O4.75 S2P 41 21 213.3438; 13.3438; 40.237
90; 90; 90
7164.5Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.
Crystal structure of <i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate
Acta Crystallographica Section E, 2015, 71, 62-64
2241195 CIF
HKL
Paper
C24 H30.78 Mn N2 O10.39P 41 21 28.0953; 8.0953; 37.568
90; 90; 90
2461.98Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.
Crystal structure of bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39-hydrate
Acta Crystallographica Section E, 2015, 71, 1307-1310
2242158 CIF
HKL
Paper
C23 H28 N2 O8 SP 41 21 212.9905; 12.9905; 29.942
90; 90; 90
5052.8Wu, Yun-Deng; Liu, Xiao-Hong; Xu, Jian; Zhang, Si-Han; Shen, Kun; Sun, Ling; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph
Acta Crystallographica Section E, 2017, 73, 821-824
2244097 CIF
HKL
Paper
C26 H32 Br N2 O2.5P 41 21 29.9254; 9.9254; 47.1267
90; 90; 90
4642.62Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W.
Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide
Acta Crystallographica Section E, 2022, 78
2300132 CIF
Paper
C40 H48 O8P 41 21 26.8558; 6.8558; 16.9375
90; 90; 90
796.096Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J.
Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data
Journal of Applied Crystallography, 2007, 40, 702-709
2300251 CIFD2 OP 41 21 26.6748; 6.67484; 6.6838
90; 90; 90
297.78Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2310644 CIFC3 H12 Cl Cu N6 S3P 41 21 213.41; 13.41; 13.79
90; 90; 90
2479.83Okaya, Y.; Knobler, C.B.
Refinement of the crystal structure of tris(thiourea) copper(I) chloride
Acta Crystallographica (1,1948-23,1967), 1964, 17, 928-930
2310696 CIFP2 ZnP 41 21 25.08; 5.08; 18.59
90; 90; 90
479.741White, J.G.
The crystal structure of the tetragonal modification of Zn P2
Acta Crystallographica (1,1948-23,1967), 1965, 18, 217-220
2312063 CIF
HKL
Paper
C45.25 H55 Ni S4P 41 21 211.7187; 11.7187; 65.014
90; 90; 90
8928.2Das Gupta, Titir; Applebaum, Jack; Broussard, William; Mack, Carson; Wu, Che; Mague, Joel T.; Donahue, James P.
Bis[1,2-bis-(4-<i>tert</i>-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate.
Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 182-186
2312483 CIF
Paper
C12 H16 N2 O4P 41 21 211.1312; 11.1312; 10.894
90; 90; 90
1349.8González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector
Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
3000144 On hold until 2018-03-30C20 H14P 41 21 27.0872; 7.0872; 27.477
90; 90; 90
1380.13Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000145 On hold until 2018-03-30C20 H14P 41 21 27.1071; 7.1071; 27.466
90; 90; 90
1387.33Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000146 On hold until 2018-03-30C20 H14P 41 21 27.1316; 7.1316; 27.467
90; 90; 90
1396.96Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000147 On hold until 2018-03-30C20 H14P 41 21 27.1562; 7.1562; 27.473
90; 90; 90
1406.93Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000148 On hold until 2018-03-30C20 H14P 41 21 27.2063; 7.2063; 27.5057
90; 90; 90
1428.39Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000149 On hold until 2018-03-30C20 H14P 41 21 26.8496; 6.8496; 26.691
90; 90; 90
1252.26Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000150 On hold until 2018-03-30C20 H14P 41 21 26.7514; 6.7514; 26.507
90; 90; 90
1208.2Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3000151 On hold until 2018-03-30C20 H14P 41 21 26.6809; 6.6809; 26.433
90; 90; 90
1179.82Roszak Kinga; Katrusiak, Andrzej
?
To be published in PCCP
3500095 CIF
HKL
C24 H32 O6P 41 21 29.1629; 9.1629; 50.2545
90; 90; 90
4219.3Thierry Maris
Desonide
Personal communication to COD, 2020
4000050 CIFC36 H84 Ga4 O12P 41 21 212.5566; 12.5566; 32.0324
90; 90; 90
5050.5Valet, Murielle; Hoffman, David M.
Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films
Chemistry of Materials, 2001, 13, 2135-2143
4000912 CIFC80 H88 Li N8 O8P 41 21 215.436; 15.436; 28.831
90; 90; 90
6869.6Pandian, Ramasamy P.; Raju, Nandyala P.; Gallucci, Judith C.; Woodward, Patrick M.; Epstein, Arthur J.; Kuppusamy, Periannan
A New Tetragonal Crystalline Polymorph of Lithium Octa-n-Butoxy-Naphthalocyanine (LiNc-BuO) Radical: Structural, Magnetic and Oxygen-Sensing Properties
Chemistry of Materials, 2010, 22, 6254
4001225 CIFC12 H16 Se2 TiP 41 21 29.3965; 9.3965; 14.412
90; 90; 90
1272.5Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)
Chemistry of Materials, 2008, 20, 5100
4001226 CIFC12 H16 Hf Se2P 41 21 29.5191; 9.5191; 14.604
90; 90; 90
1323.3Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)
Chemistry of Materials, 2008, 20, 5100
4001229 CIFC18 H28 Se2 ZrP 41 21 210.026; 10.026; 19.288
90; 90; 90
1938.8Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)
Chemistry of Materials, 2008, 20, 5100
4002034 CIFH22 N4 O3 S6 Sn2P 41 21 28.56294; 8.56294; 22.7703
90; 90; 90
1669.61Nørby, Peter; Overgaard, Jacob; Christensen, Per S.; Richter, Bo; Song, Xin; Dong, Mingdong; Han, Anpan; Skibsted, Jørgen; Iversen, Bo B.; Johnsen, Simon
(NH4)4Sn2S6·3H2O: Crystal Structure, Thermal Decomposition, and Precursor for Textured Thin Film
Chemistry of Materials, 2014, 26, 4494
4002658 CIFAl Li O2P 41 21 25.1965; 5.1965; 6.3464
90; 90; 90
171.376Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin
Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers
Chemistry of Materials, 2016, 28, 915
4002659 CIFAl Li O2P 41 21 25.15885; 5.15885; 6.27
90; 90; 90
166.868Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin
Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers
Chemistry of Materials, 2016, 28, 915
4002660 CIFAl Li O2P 41 21 25.2252; 5.2252; 6.4038
90; 90; 90
174.841Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin
Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers
Chemistry of Materials, 2016, 28, 915
4003642 CIFC H6 Au Br3 NP 41 21 27.9115; 7.9115; 23.385
90; 90; 90
1463.7Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan
Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers
Chemistry of Materials, 2020
4020037 CIFC40 H56 Fe2 I2 N2 O2 Pd2 Si2P 41 21 212.5501; 12.5501; 29.4265
90; 90; 90
4634.8Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman
Journal of Organic Chemistry, 2005, 70, 648-657
4021205 CIFC15 H19 N OP 41 21 26.5986; 6.5986; 53.743
90; 90; 90
2340Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti; Romina Rompietti
Conformational Studies by Dynamic NMR. 100. Enantiomerization Process of Stereolabile Atropisomers in Pyridine-Substituted Adamantane Derivatives
Journal of Organic Chemistry, 2004, 69, 5746-5748
4021283 CIFC47 H55 Cl2 N2 O5 P2 RhP 41 21 210.495; 10.495; 42.528
90; 90; 90
4684.1Yu Fu; Xun-Xiang Guo; Shou-Fei Zhu; Ai-Guo Hu; Jian-Hua Xie; Qi-Lin Zhou
Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Olefins Using Monodentate Spiro Phosphoramidite Ligands
Journal of Organic Chemistry, 2004, 69, 4648-4655
4021396 CIFC16 H24 N O3 P SP 41 21 213.787; 13.787; 41.256
90; 90; 90
7842Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo
Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism
Journal of Organic Chemistry, 2006, 71, 606-615
4022020 CIFC25 H16 OP 41 21 28.6562; 8.6562; 22.961
90; 90; 90
1720.5Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang
A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran
Journal of Organic Chemistry, 2006, 71, 8291-8293

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 19 | 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!