Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515839 | CIF | C26 H41 N O9 | P 1 21 1 | 5.9601; 10.917; 20.891 90; 94.816; 90 | 1354.5 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515840 | CIF | C26 H41 N O9 | P 21 21 21 | 10.5979; 11.4345; 23.237 90; 90; 90 | 2815.9 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515841 | CIF | C12 H16 Br N4 O4.5 | P 1 21 1 | 13.5873; 6.9161; 15.7114 90; 98.786; 90 | 1459.1 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515842 | CIF | C12 H12 Br2 N4 O3 | P 1 21 1 | 6.7838; 8.118; 12.9579 90; 100.117; 90 | 702.51 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515843 | CIF | C11 H11 Br N4 O3 | P 21 21 21 | 6.1269; 6.8919; 29.087 90; 90; 90 | 1228.2 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515844 | CIF | C11 H13 Br N2 O4 | P 21 21 21 | 8.4061; 9.2037; 17.3522 90; 90; 90 | 1342.5 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515845 | CIF | C14 H19 Br N4 O4 | P 21 21 21 | 10.3843; 10.7461; 14.0947 90; 90; 90 | 1572.8 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515846 | CIF | C17 H17 Br N2 O3 S | P 1 21 1 | 9.2556; 8.0917; 11.7613 90; 91.799; 90 | 880.41 | Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566 |
| 1515847 | CIF | C16 H28 Br2 Fe N8 | P 1 21/n 1 | 9.5341; 16.1645; 13.717 90; 90.539; 90 | 2113.9 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515848 | CIF | C73 H80 B2 Fe N10 | P -1 | 13.1775; 13.2415; 18.3584 93.46; 97.33; 90.471 | 3170.97 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515849 | CIF | C74 H76 B2 Fe N10 | P -1 | 13.04; 13.169; 22.292 76.65; 79.24; 60.99 | 3244.7 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515850 | CIF | C76 H76 B2 Fe N10 | C 1 2/c 1 | 45.6638; 12.6323; 24.6196 90; 98.831; 90 | 14033.2 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515851 | CIF | C32 H30 | P -1 | 8.42; 10.445; 15.4972 81.045; 74.819; 68.224 | 1218.9 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515852 | CIF | C31 H29 N | P -1 | 8.3091; 10.524; 15.4592 80.8186; 74.9937; 67.8783 | 1206.7 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515853 | CIF | C31 H29 N | P -1 | 10.1034; 14.8715; 17.8686 74.014; 75.146; 78.92 | 2473.28 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515854 | CIF | C30 H28 N2 | P n n a | 18.9732; 14.5707; 8.6223 90; 90; 90 | 2383.66 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515855 | CIF | C66 H72 Cl4 O4 | P -1 | 9.5378; 11.7657; 13.6855 85.769; 88.725; 71.627 | 1453.51 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515856 | CIF | C61 H61 Cl8 N O4 | P -1 | 9.5501; 11.9607; 13.4618 85.7591; 88.837; 71.1797 | 1451.48 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515857 | CIF | C64 H58 O4 | P 1 21/c 1 | 21.7475; 36.719; 12.9048 90; 95.5386; 90 | 10257 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515858 | CIF | C82 H70 O4 | P 1 21/c 1 | 29.4698; 13.9924; 16.0684 90; 102.496; 90 | 6468.88 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515859 | CIF | C66 H50 O4 | C 1 c 1 | 35.6175; 9.396; 14.925 90; 92.4734; 90 | 4990.2 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515860 | CIF | C52 H50 O4 | P 1 c 1 | 12.9195; 26.1804; 13.8321 90; 114.575; 90 | 4254.73 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515861 | CIF | C32 H138 Cu4 F4 N12 O33 | F -4 3 c | 37.295; 37.295; 37.295 90; 90; 90 | 51874 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515862 | CIF | C13 H44 Cu N6 O13 S2 | P -3 c 1 | 28.3688; 28.3688; 12.3891 90; 90; 120 | 8634.8 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515863 | CIF | C66 H76 F24 N12 O4 P4 | P 1 21/c 1 | 13.8458; 22.974; 13.2064 90; 116.74; 90 | 3751.6 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515864 | CIF | C36 H32 F24 N4 P4 | P 1 21/c 1 | 7.3165; 13.7561; 20.634 90; 97.195; 90 | 2060.4 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515865 | CIF | C64.5 H58 Cl3 N O8 U | P 1 21/n 1 | 14.258; 18.699; 23.046 90; 106.19; 90 | 5901 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515866 | CIF | C73 H86 N2 O18 U | C 1 c 1 | 18.534; 19.636; 19.425 90; 97.62; 90 | 7007 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515867 | CIF | C71 H50 B F24 Ir N O P | P -1 | 13.9209; 15.6412; 17.1341 104.914; 106.384; 102.47 | 3286.93 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515868 | CIF | C68.95 H68.7 B Cl1.1 F24 Ir N O P | P 21 21 21 | 13.5137; 19.4816; 27.1434 90; 90; 90 | 7146 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515869 | CIF | C72 H74 B F24 Ir N O2 P | C 1 2 1 | 44.28; 12.7293; 25.6592 90; 95.409; 90 | 14398.5 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515870 | CIF | C77 H56 B F24 Ir N O P | P 1 | 12.8218; 14.836; 18.8757 96.898; 99.557; 95.874 | 3487.6 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515871 | CIF | C23 H19 N O | P 1 | 7.6503; 12.8616; 18.8654 106.228; 98.815; 101.265 | 1704.86 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515872 | CIF | C48 H36 B F24 Ir | P 1 21/c 1 | 13.2952; 18.3006; 19.3162 90; 98.362; 90 | 4649.9 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515873 | CIF | C15 H18 O4 | P b c a | 10.8837; 9.9484; 24.339 90; 90; 90 | 2635.3 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515874 | CIF | C12 H16 O5 | P 1 21/n 1 | 12.7394; 5.3825; 17.5551 90; 95.114; 90 | 1198.96 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515875 | CIF | C13 H18 O5 | P 1 21/n 1 | 6.107; 17.9729; 11.7273 90; 93.8337; 90 | 1284.31 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515876 | CIF | C12 H23 N O4 | P 1 21/c 1 | 13.3403; 36.423; 8.3934 90; 97.753; 90 | 4041 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515877 | CIF | C12 H13 F3 O5 | P 21 21 21 | 5.4272; 8.1299; 29.841 90; 90; 90 | 1316.7 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515878 | CIF | C11 H14 O5 | P 21 21 21 | 5.3299; 7.8346; 26.1897 90; 90; 90 | 1093.62 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515879 | CIF | C12 H18 O6 | P 1 21/c 1 | 14.7841; 8.6141; 10.4165 90; 108.515; 90 | 1257.9 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515880 | CIF | C12 H16 O5 | P -1 | 6.3303; 10.0505; 10.7006 112.38; 96.09; 103.804 | 596.46 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
| 1515881 | CIF | C17 H21 N3 O5 | P 1 21 1 | 9.6031; 8.4478; 10.8364 90; 101.527; 90 | 861.37 | Arai, Takayoshi; Matsumura, Eri; Masu, Hyuma Bis(imidazolidine)pyridine-NiCl2 Catalyst for Nitro-Mannich Reaction of Isatin-Derived N-Boc Ketimines: Asymmetric Synthesis of Chiral 3-Substituted 3-Amino-2-oxindoles. Organic letters, 2014, 16, 2768-2771 |
| 1515882 | CIF | C15 H26 Sn | P 1 21/c 1 | 12.1651; 11.0065; 11.8112 90; 99.351; 90 | 1560.45 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515883 | CIF | C52 H74 N2 Sn | P 1 21/n 1 | 13.7423; 19.1733; 18.7204 90; 105.761; 90 | 4747.1 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515884 | CIF | C104 H154 Sn6 | P 1 21/c 1 | 15.8297; 14.7507; 43.5163 90; 97.259; 90 | 10079.6 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515885 | CIF | C17 H19 N | P 1 21/n 1 | 12.6984; 7.5774; 15.0315 90; 102.303; 90 | 1413.13 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 1515886 | CIF | C22 H20 Br N O2 S | P -1 | 6.9028; 11.787; 25.657 89.74; 87.38; 85.551 | 2079.1 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 1515887 | CIF | C25 H22 N2 O3 | P b c a | 12.8758; 17.5058; 18.2986 90; 90; 90 | 4124.53 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 1515888 | CIF | C10 H32 B2 N4 Ni | P n m a | 14.4512; 9.4625; 11.7824 90; 90; 90 | 1611.18 | Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research Energy & Environmental Science, 2010, 3, 1973 |
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