Crystallography Open Database

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7238825 CIFC13 H9 Br N2 O2A 1 2 110.6408; 16.2706; 7.5669
90; 110.783; 90
1224.83Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip
Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure
CrystEngComm, 2013, 15, 2474
7238826 CIFC13 H9 Br N2 O2A 1 2 110.5217; 16.2535; 7.4403
90; 110.709; 90
1190.2Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip
Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure
CrystEngComm, 2013, 15, 2474
1512309 CIFC44 H29 N5A b a 222.3172; 27.4649; 15.9655
90; 90; 90
9785.9Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen
Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes
Organic Letters, 2013, 15, 4694
1516824 CIFC26 H20 Cu N6 O4A b a 212.576; 17.8297; 10.7632
90; 90; 90
2413.39Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay
Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex
Inorganica Chimica Acta, 2013, 398, 98-105
2237143 CIF
HKL
Paper
C20 H20 N2 O2A b a 213.1537; 31.0875; 8.3175
90; 90; 90
3401.2Novina, J. Josephine; Vasuki, G.; Muthukumar, C.; Sabastiyan, A.; Crochet, A.; Fromm, K. M.
7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol
Acta Crystallographica Section E, 2013, 69, o45
2238283 CIF
HKL
Paper
C22 H54 Cl N O4 S Sn2A b a 227.2051; 20.4336; 11.437
90; 90; 90
6357.8Diop, Tidiane; van der Lee, Arie; Sidibé, Mamadou
Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]
Acta Crystallographica Section E, 2013, 69, m406-m407
4028383 CIFC30 H32 N4 O3A b a 217.2631; 35.327; 8.9843
90; 90; 90
5479.1Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh
Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides
Journal of Organic Chemistry, 2013, 78, 6450-6456
4028507 CIFC23 H19 NA b a 213.2591; 25.5247; 10.0154
90; 90; 90
3389.56Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam
NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers
Journal of Organic Chemistry, 2013, 78, 8028-8036
4079875 CIFC8 H10 Ag3 N4 O6A b a 28.2733; 14.2973; 23.5083
90; 90; 90
2780.7Hu, Ting; Mak, Thomas C. W.
Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions
Organometallics, 2013, 32, 202
4080623 CIFC23 H28 N4A b a 215.1461; 16.6023; 7.776
90; 90; 90
1955.35Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan
Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities
Organometallics, 2013, 32, 2435
4081101 CIFC12 H18.5 Co0.5 I N O2.5A b a 28.975; 17.704; 18.027
90; 90; 90
2864.4Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao
NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands
Organometallics, 2013, 32, 3980
4333584 CIFC73 H133 Mn9 O35A b a 220.555; 68.895; 21.549
90; 90; 90
30516Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet
Inorganic Chemistry, 2013, 52, 873-884
4334484 CIFC10 H27 Cl F6 N3 O2 P Ru S2A b a 214.7124; 15.6131; 17.1848
90; 90; 90
3947.5Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood
cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)
Inorganic Chemistry, 2013, 52, 4517-4527
4336625 CIFC78 H50 Ce N2 O18A b a 235.7507; 16.3257; 13.1559
90; 90; 90
7678.5Yan-Ping He; Yan-Xi Tan; Jian Zhang
Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand
Inorganic Chemistry, 2013, 52, 12758-12762
4507431 CIFC192 H144 Cu4 N28 O12A b a 226.531; 29.2825; 21.2848
90; 90; 90
16536He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong
Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity
ACS Catalysis, 2013, 3, 1
4508601 CIFC50 H50 N8 Ni O8A b a 219.562; 15.8621; 15.3525
90; 90; 90
4763.8Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju
Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties
Crystal Growth & Design, 2013, 13, 5487
7021303 CIFC31 H22 Cl3 Cu2 N6 O2 S2A b a 220.618; 32.001; 9.7898
90; 90; 90
6459.3Majouga, Alexander G.; Beloglazkina, Elena K.; Moiseeva, Anna A.; Shilova, Olga V.; Manzheliy, Eugeniy A.; Lebedeva, Maria A.; Davies, E. Stephen; Khlobystov, Andrei N.; Zyk, Nikolay V.
Cleavage of the C-S bond with the formation of a binuclear copper complex with 2-thiolato-3-phenyl-5-(pyridine-2-ylmethylene)-3,5-dihydro-4H-imidazole-4-one. A new mimic of the active site of N2O reductase.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 6290-6293
7022753 CIFC30 H18 Co N2 O6A b a 219.559; 14.772; 8.378
90; 90; 90
2420.6Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.
Cobalt lawsone complexes: searching for new valence tautomers.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 5462-5470
7022944 CIFC111 H95.5 Cl8 Mn4 N26.5 O34A b a 218.5171; 30.0858; 23.2151
90; 90; 90
12933.2Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta
Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 9746-9754
7053076 CIFC30 H18 Co N2 O6A b a 219.554; 14.761; 8.3825
90; 90; 90
2419.5Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.
Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand
New Journal of Chemistry, 2013, 37, 2303
7053080 CIFC30 H18 N2 O6 ZnA b a 219.6716; 14.8036; 8.3806
90; 90; 90
2440.5Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.
Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand
New Journal of Chemistry, 2013, 37, 2303
7109152 CIFC18 H12 Be N2 O2 S2A b a 210.2336; 14.137; 11.2663
90; 90; 90
1629.9Chan Seok Oh; Chil Won Lee; Jun Yeob Lee
Simple heteroatom engineering for tuning the triplet energy of organometallic host materials for red, green and blue phosphorescent organic light-emitting diodes
Chem.Commun., 2013, 49, 3875
7109556 CIFC38 H26 B F10 PA b a 231.8747; 21.7074; 9.5693
90; 90; 90
6621.2Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker
Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions
Chem.Commun., 2013, 49, 6992
7109919 CIFC21 H20 O5A b a 230.6554; 15.1602; 8.7821
90; 90; 90
4081.4Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang
Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles
Chem.Commun., 2013, 49, 10190
7153062 CIFC56 H88 Cu4 Fe2 N4 P4 S4A b a 232.8531; 32.0553; 21.088
90; 90; 90
22208.1Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.
A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 12849-12852
7153063 CIFC56 H88 Cu4 Fe2 N4 P4 S4A b a 232.822; 32.088; 21.1255
90; 90; 90
22249Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.
A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 12849-12852
7210104 CIFC6 H8 Mn N10 O2A b a 29.3707; 12.181; 9.1857
90; 90; 90
1048.5Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang
Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries
CrystEngComm, 2013, 15, 4830
7022658 CIFC2 H8 Hg3 N Sb3 Se8A b m 211.3895; 15.5501; 11.2968
90; 90; 90
2000.75Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying
Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 5454-5461
4334168 CIFC41 H45 N3 O5 P2A e a 222.2182; 15.4755; 10.8569
90; 90; 90
3733Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
Inorganic Chemistry, 2013, 52, 3063-3083
4334169 CIFC41 H45 N3 O5 P2A e a 222.2568; 15.4841; 10.8479
90; 90; 90
3738.5Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
Inorganic Chemistry, 2013, 52, 3063-3083
7239206 CIFC21 H19 N3 O2A e a 27.166; 40.204; 6.3427
90; 90; 90
1827.3Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken
Recognition between V- and dumbbell-shaped molecules
RSC Advances, 2013, 3, 26382
7702900 CIFC12 H24 Cl6 Fe O4 S2 ScA e m 216.15; 64.37; 11.3327
90; 90; 90
11781Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian
Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 13179-13189
2019161 CIF
HKL
Paper
C24 H40 B In N6A m a 216.6414; 15.8504; 10.3779
90; 90; 90
2737.4Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard
Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands
Acta Crystallographica Section C, 2013, 69, 963-967
4089612 CIFC12 H8 O7 WA m a 27.6044; 12.0731; 14.8012
90; 90; 90
1358.88Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet
Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials
Organometallics, 2013, 32, 5491
4335929 CIFC15 H40 Ge11 N3 O25.5A m a 237.82959; 15.24373; 12.83659
90; 90; 90
7402.4Yan Xu; Leifeng Liu; Daniel M. Chevrier; Junliang Sun; Peng Zhang; Jihong Yu
Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm
Inorganic Chemistry, 2013, 52, 10238-10244
4507351 CIFC11 H6 Br N2 O5 ZnA m a 212.8977; 8.1974; 11.2059
90; 90; 90
1184.77Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang
Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand
Crystal Growth & Design, 2013, 13, 367
4335084 CIFAg2 Nb3 S6 TeA m m 28.8215; 9.903; 5.719
90; 90; 90
499.61Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis
Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)
Inorganic Chemistry, 2013, 52, 6520-6532
4335633 CIFC H5 I3 N2 SnA m m 26.3286; 8.9554; 8.9463
90; 90; 90
507.03Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
Inorganic Chemistry, 2013, 52, 9019-9038
1562799 CIFBi0.67 La0.67 O4 TiB 2 e b5.4182; 5.41048; 32.9798
90; 90; 90
966.8Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562800 CIFBi0.67 La0.33 Nd0.33 O4 TiB 2 e b5.40644; 5.39783; 32.8972
90; 90; 90
960.04Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562801 CIFBi0.67 La0.33 O4 Pr0.33 TiB 2 e b5.4077; 5.4011; 32.9211
90; 90; 90
961.54Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562802 CIFBi0.67 Nd0.67 O4 TiB 2 e b5.38744; 5.38468; 32.8051
90; 90; 90
951.66Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562803 CIFBi0.67 O4 Pr0.67 TiB 2 e b5.39475; 5.3931; 32.858
90; 90; 90
955.98Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562804 CIFBi0.67 Nd0.33 O4 Pr0.33 TiB 2 e b5.3924; 5.3884; 32.8298
90; 90; 90
953.92Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562805 CIFBi0.17 Nb0.17 O Sr0.17 Ti0.08B 2 e b5.50595; 5.50916; 33.20309
90; 90; 90
1007.15Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562806 CIFBa0.04 Bi0.17 Nb0.17 O Sr0.13 Ti0.08B 2 e b5.52168; 5.52725; 33.48115
90; 90; 90
1021.83Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562807 CIFBa0.04 Bi0.17 O Sr0.12 Ta0.17 Ti0.08B 2 e b5.5251; 5.5252; 33.44076
90; 90; 90
1020.86Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562808 CIFBi0.17 Ca0.04 Nb0.17 O Sr0.13 Ti0.08B 2 e b5.48102; 5.47557; 33.0644
90; 90; 90
992.32Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562809 CIFBa0.08 Bi0.17 Nb0.17 O Sr0.09 Ti0.08B 2 e b5.5445; 5.5441; 33.65056
90; 90; 90
1034.4Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562810 CIFBa0.08 Bi0.17 O Sr0.08 Ta0.17 Ti0.08B 2 e b5.5418; 5.5421; 33.596
90; 90; 90
1031.84Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562811 CIFBi0.17 Ca0.08 Nb0.17 O Sr0.08 Ti0.08B 2 e b5.47261; 5.46984; 33.0398
90; 90; 90
989.02Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1562812 CIFBi0.17 Ca0.08 O Sr0.08 Ta0.17 Ti0.08B 2 e b5.4791; 5.4779; 33.011
90; 90; 90
990.8Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Journal of Solid State Chemistry, 2013, 197, 475-482
1556998 CIFAl Ca0.01 K0.01 Na1.01 O8 Si2.98C -18.133; 12.81; 7.171
94.1; 116.59; 87.79
666.4Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.
Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 16
American Mineralogist, 2013, 98, 41-52
1556999 CIFAl0.99 Fe0.01 K0.01 Na1.02 O8 Si2.99C -18.166; 12.845; 7.188
94.24; 116.59; 87.715
672.4Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.
Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 45
American Mineralogist, 2013, 98, 41-52
1557000 CIFAl K0.86 Na0.17 O8 Si2.99C -18.598; 12.97; 7.2
90.029; 116.137; 89.498
720.8Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.
Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 16
American Mineralogist, 2013, 98, 41-52
1557001 CIFAl0.99 K Na0.04 O8 Si3C -18.585; 12.979; 7.2282
90.512; 115.914; 87.711
723.8Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.
Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 45
American Mineralogist, 2013, 98, 41-52
1557942 CIFAl2 Ca O8 Si2C -18.152; 12.917; 7.126
93.26; 116.37; 88.72
671.2Wadoski-Romeijn, E.; Armbruster, T.
Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure
American Mineralogist, 2013, 98, 1988-1997
9016972 CIFAl Ca0.5 O4 SiC -18.152; 12.917; 7.126
93.26; 116.37; 88.72
671.192Wadoski-Romeijn E; Armbruster, T.
Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 350 C, Path 2, synthesised from gismondine
American Mineralogist, 2013, 98, 1988-1997
9017412 CIFC Ca O3C 112.353; 7.102; 25.733
90.46; 99.78; 90.24
2224.67Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
The multiple structures of vaterite
Crystal Growth & Design, 2013, 13, 2247-2251
9017413 CIFC Ca O3C 112.358; 7.106; 25.741
90.43; 99.88; 90.29
2226.84Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
The multiple structures of vaterite
Crystal Growth & Design, 2013, 13, 2247-2251
1508864 CIFC25 H25 N3 O3C 1 2 121.033; 9.9868; 10.2026
90; 102.928; 90
2088.8Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou
One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the "inside yohimbane" system with five contiguous stereogenic centers.
Organic letters, 2013, 15, 468-471
1508931 CIFC21 H13 Cl4 N2 O3C 1 2 126.5331; 8.0048; 9.7571
90; 97.575; 90
2054.25Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.
Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.
Organic letters, 2013, 15, 988-991
1511860 CIFC22 H17 Br N4 O4 SC 1 2 130.977; 6.0722; 11.0436
90; 91.291; 90
2076.8Liu, Xiong-Li; Han, Wen-Yong; Zhang, Xiao-Mei; Yuan, Wei-Cheng
Highly efficient and stereocontrolled construction of 3,3'-pyrrolidonyl spirooxindoles via organocatalytic domino Michael/cyclization reaction.
Organic letters, 2013, 15, 1246-1249
1511918 CIFC16 H11 Cl O7C 1 2 117.187; 7.3498; 23.976
90; 101.984; 90
2962.7Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu
Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.
Organic letters, 2013, 15, 1748-1751
1511922 CIFC19 H19 F3 N2 O4 SC 1 2 123.483; 6.302; 13.176
90; 105.776; 90
1876.47Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan
Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.
Organic letters, 2013, 15, 1922-1925
1512053 CIFC36 H52 N4 O5C 1 2 126.4401; 22.3692; 18.4184
90; 131.651; 90
8139.7Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst.
Organic letters, 2013, 15, 2640-2643
1512078 CIFC25 H43.5 O1.75C 1 2 129.5357; 15.7962; 20.0056
90; 96.313; 90
9277.05Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang
Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242
Organic Letters, 2013, 15, 2522
1512143 CIFC17 H31 N3 O5C 1 2 119.4525; 6.8143; 14.9925
90; 90.914; 90
1987.08Cong, Hai-Jian; Zhang, Shu-Wei; Shen, Yu; Zheng, Yong; Huang, Yu-Jie; Wang, Wen-Qiong; Leng, Ying; Xuan, Li-Jiang
Guanidine Alkaloids from Plumbago zeylanica.
Journal of natural products, 2013, 76, 1351-1357
1512269 CIFC27 H36 N2 O5C 1 2 144.5917; 9.6204; 37.0616
90; 122.453; 90
13416.1Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Näther, Christian; Imhoff, Johannes F.
Calcaripeptides a-C, cyclodepsipeptides from a calcarisporium strain.
Journal of natural products, 2013, 76, 1461-1467
1512326 CIFC21 H22 N2 O3C 1 2 118.664; 8.2652; 12.1851
90; 97.374; 90
1864.1Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing
Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.
Organic letters, 2013, 15, 4524-4527
1512563 CIFC25 H34 Cl N3 OC 1 2 127.139; 8.776; 23.632
90; 123.81; 90
4677Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.
Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.
Journal of natural products, 2013, 76, 1937-1945
1512589 CIFC35 H51 N3 O12 Si2C 1 2 123.9112; 6.492; 26.346
90; 95.462; 90
4071.2Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J.
Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B.
Organic letters, 2013, 15, 5492-5495
1512815 CIFC28 H20 Co N8 O12C 1 2 122.432; 6.2562; 11.1
90; 99.851; 90
1534.8Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin
Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties
Inorganica Chimica Acta, 2013, 394, 715-722
1512973 CIFC31 H39 Cl Cu2 N4 O8C 1 2 113.452; 17.648; 7.421
90; 108.58; 90
1669.9Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh
Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand
Inorganica Chimica Acta, 2013, 396, 66-71
1513111 CIFC22 H22 N4 O6C 1 2 114.897; 6.8317; 20.38
90; 102.13; 90
2027.8Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George
Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities
Organic Letters, 2013, 15, 5670
1513124 CIFC30 H33 Cl N2 O3 SC 1 2 137.404; 6.7314; 10.8232
90; 90.249; 90
2725.1Xu, Qing-Long; Zhuo, Chun-Xiang; Dai, Li-Xin; You, Shu-Li
Highly Enantioselective Synthesis of TetrahydrocarbolinesviaIridium-Catalyzed Intramolecular Friedel‒Crafts Type Allylic Alkylation Reactions
Organic Letters, 2013, 15, 5909
1513183 CIFC68 H76.75 Cd5 Cl4 N36 O29.5C 1 2 145.815; 13.88; 16.375
90; 106.948; 90
9961Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar
A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies
Inorganica Chimica Acta, 2013, 397, 144-151
1513222 CIFC29 H44 O11C 1 2 120.3979; 9.6961; 16.0481
90; 99.429; 90
3131.11Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang
Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax
Journal of Natural Products, 2013, 76, 2210
1513232 CIFC13 H10 I N O3C 1 2 120.2766; 11.0112; 13.5295
90; 123.314; 90
2524.3Murata, Yusuke; Takahashi, Masaki; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi
Construction of Spiro-Fused 2-Oxindole/α-Methylene- γ-Butyrolactone Systems with Extremely High Enantioselectivity via Indium-Catalyzed Amide Allylation of N-Methyl Isatin.
Organic letters, 2013, 15, 6182-6185
1514679 CIFC13 H13 Cl3 I N O2C 1 2 125.646; 6.3769; 10.8278
90; 112.766; 90
1632.8Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.
Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.
Chemical sciences journal, 2013, 4, 2100
1514694 CIFC19 H22 Br N O4C 1 2 128.468; 6.5087; 10.903
90; 101.161; 90
1982Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514746 CIFC18 H17 F3 O2C 1 2 119.358; 9.419; 8.186
90; 90.979; 90
1492.4Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.
Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study
Chemical Science, 2013, 4, 4146
1514871 CIFC114.75 H48.75 Cl0.75 N4 Ni SmC 1 2 125.082; 14.877; 19.229
90; 93.881; 90
7159Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai
Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species.
Nanoscale, 2013, 5, 10409-10413
1517621 CIFC26 H24 Cu2 N14 O8C 1 2 115.4005; 15.4356; 13.3294
90; 92.652; 90
3165.2Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten
Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-
Inorganica Chimica Acta, 2013, 403, 120-126
1547388 CIFC30 H57 Au Cl O3 PC 1 2 119.461; 9.2739; 20.008
90; 112.325; 90
3340.4Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena
Modular chiral gold(i) phosphite complexes
Catalysis Science & Technology, 2013, 3, 3007-3012
1551334 CIFC19 H21 Br O10C 1 2 128.107; 6.679; 13.398
90; 117.776; 90
2225.4Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath
A multistep single-crystal-to-single-crystal bromodiacetylene dimerization
Nature Chemistry, 2013, 5, 327-334
1551335 CIFC19 H21 Br O10C 1 2 128.5038; 6.6628; 13.4137
90; 117.232; 90
2265.1Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath
A multistep single-crystal-to-single-crystal bromodiacetylene dimerization
Nature Chemistry, 2013, 5, 327-334
1552064 CIFC18 H22 Br N O6C 1 2 125.835; 10.3517; 7.2252
90; 102.657; 90
1885.3Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo
Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates
Nature Chemistry, 2013, 5, 1049-1057
1562641 CIFC32 H14 Cd3 N2 O27C 1 2 119.0173; 7.3088; 18.6844
90; 117.511; 90
2303.3Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li
Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid
Journal of Solid State Chemistry, 2013, 202, 250-256
1562729 CIFAl1.65 F2 Mg3 Na1.65 O13 Si2.35C 1 2 15.352; 9.27; 12.145
90; 98.35; 90
596.2Kalo, Hussein; Milius, Wolfgang; Bräu, Michael; Breu, Josef
Synthesis and single crystal structure refinement of the one-layer hydrate of sodium brittle mica
Journal of Solid State Chemistry, 2013, 198, 57-64
2018776 CIF
HKL
Paper
C20 H34 Ag2 N6 O13 S2C 1 2 121.8568; 8.0321; 16.8886
90; 99.337; 90
2925.6Altaf, Muhammad; Stoeckli-Evans, Helen
Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Acta Crystallographica Section C, 2013, 69, 127-137
2018801 CIF
HKL
Paper
C6 H19 Cl2 N6 O9.5 Pt S2C 1 2 130.515; 8.3572; 7.443
90; 96.507; 90
1885.9Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro
A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
Acta Crystallographica Section C, 2013, 69, 146-149
2018954 CIF
HKL
Paper
C14 H21 N3 O12 S2C 1 2 118.7682; 5.0027; 21.2122
90; 101.99; 90
1948.2Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate
Acta Crystallographica Section C, 2013, 69, 534-537
2019078 CIF
HKL
Paper
C24 H16 N2 O4 PbC 1 2 115.9945; 6.7767; 9.502
90; 104.795; 90
995.77Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting
Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]
Acta Crystallographica Section C, 2013, 69, 872-875
2019189 CIF
Paper
Cs2.91 Fe3.25 H16 Na1.34 O33 S6C 1 2 117.183; 9.482; 20.058
90; 110.42; 90
3062.7Mereiter, Kurt
Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family
Acta Crystallographica Section C, 2013, 69, 1085-1090
2105443 CIF
HKL
Paper
C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90
12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105444 CIF
HKL
Paper
C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90
12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105445 CIF
HKL
Paper
C78.5 H86.4 O73.2C 1 2 128.712; 27.267; 15.79
90; 95.4; 90
12307Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105942 CIF
HKL
Paper
C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90
12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105943 CIF
HKL
C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90
12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227

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