Crystallography Open Database

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2021076 CIF
HKL
Paper
C34 H34 Cl2 N8 O6 S2P -110.7421; 11.7053; 24.5947
85.45; 87.699; 63.459
2757.86Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021077 CIF
HKL
Paper
C30 H20 O2P 1 21/n 112.9627; 9.6666; 16.6887
90; 105.217; 90
2017.86Zarei, Seyed Amir; Akhtari, Keivan; Piltan, Mohammad; Kamel, Shaaban M.; Mague, Joel T.
The [4+4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties
Acta Crystallographica Section C, 2018, 74
2021079 CIF
HKL
Paper
C36 H41.5 Br3 Co N9 O9.75P -110.6773; 13.0608; 16.356
71.118; 87.07; 80.73
2130Su, Chang-Kai; Zhang, Kou-Lin
Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization
Acta Crystallographica Section C, 2018, 74, 504-512
2021080 CIF
HKL
Paper
C22 H16 Br3 Co N5 O4P b c a10.1342; 17.938; 28.071
90; 90; 90
5103Su, Chang-Kai; Zhang, Kou-Lin
Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization
Acta Crystallographica Section C, 2018, 74, 504-512
2021081 CIF
HKL
Paper
C17 H14 F3 N3P 1 21/n 110.001; 20.82; 15.124
90; 96.12; 90
3131Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021082 CIF
HKL
Paper
C18 H16 F3 N3 OP b c a9.5097; 17.921; 20.011
90; 90; 90
3410.3Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021083 CIF
HKL
Paper
C18 H16 F3 N3 OP 1 21/n 115.1368; 7.7224; 15.4446
90; 112.454; 90
1668.5Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021084 CIF
HKL
Paper
C18 H16 F3 N3 OP -18.829; 9.513; 11.598
106.105; 95.554; 110.049
859.1Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021085 CIF
HKL
Paper
C18 H10 F9 N3 OP 1 21/n 111.9633; 7.8453; 20.0446
90; 95.191; 90
1873.6Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021086 CIF
HKL
Paper
C19 H18 F3 N3 O4P 1 21/c 130.656; 8.3363; 7.6723
90; 94.627; 90
1954.3Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021087 CIF
HKL
Paper
C17 H14 F3 N3 O3P 1 21/c 112.267; 8.4334; 15.686
90; 93.904; 90
1619Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021088 CIF
HKL
C16 H8 Mn N4 O8P 1 21/c 18.3422; 16.45; 11.8773
90; 93.108; 90
1627.51Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia
A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)
Acta Crystallographica Section C, 2018, 74, 599-603
2021089 CIF
HKL
Paper
C23 H17 Cl N6 O2P 1 21/c 111.8203; 9.1276; 21.1575
90; 100.468; 90
2244.71Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal
A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed <i>in situ</i> by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties
Acta Crystallographica Section C, 2018, 74, 584-589
2021090 CIF
Paper
C38 H36 As Cl O2 Pb2P b c a19.0566; 15.5255; 24.0975
90; 90; 90
7129.6Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021091 CIF
Paper
C14 H16 As Cl O2 PbP 1 21/c 17.3822; 19.95; 10.2878
90; 99.763; 90
1493.19Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021092 CIF
Paper
C30 H25 O2 P PbP 1 21/n 113.8277; 12.6242; 14.4713
90; 97.717; 90
2503.3Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021093 CIF
HKL
Paper
C20 H32 O5P 21 21 216.4641; 11.6518; 25.4249
90; 90; 90
1914.96Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie
Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system
Acta Crystallographica Section C, 2018, 74, 635-640
2021094 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7608; 10.6134; 11.2721
77.398; 75.589; 87.635
1103.64Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan
Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides
Acta Crystallographica Section C, 2018, 74, 608-617
2021095 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7524; 10.6117; 11.251
77.3381; 75.6221; 87.7313
1100.33Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan
Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides
Acta Crystallographica Section C, 2018, 74, 608-617
2021096 CIF
HKL
Paper
C52 H119 N20 Na5 O60 P8C 1 2 137.656; 7.031; 21.959
90; 120.9; 90
4989Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021097 CIF
HKL
Paper
C52 H105 N20 Na O51 P8C 1 2 139.474; 6.964; 18.656
90; 115.18; 90
4641Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021098 CIF
HKL
Paper
C10 H18 N10 O8 P2P 1 21/c 110.515; 11.955; 7.064
90; 96.62; 90
882.1Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021099 CIF
HKL
Paper
C10 H14 N10 O6 P2C 1 2/c 112.888; 11.093; 11.487
90; 101.44; 90
1609.6Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021100 CIF
HKL
Paper
As Nb0.92 NiP n m a6.2115; 3.715; 7.172
90; 90; 90
165.5Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021101 CIF
HKL
Paper
As Co NbP n m a6.2656; 3.7273; 7.1589
90; 90; 90
167.19Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021102 CIF
HKL
Paper
Ge Nb NiP n m a6.2989; 3.7613; 7.2033
90; 90; 90
170.66Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021103 CIF
HKL
Paper
C38 H62 Mg O4P 1 21 116.847; 15.6786; 21.787
90; 106.954; 90
5504.7Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021104 CIF
HKL
Paper
C40 H66 Al2 O8C 1 2/c 127.7603; 9.0454; 18.4921
90; 118.401; 90
4084.5Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021105 CIF
HKL
Paper
C68 H86 O8 Zn7P b c a13.9163; 20.4248; 23.0316
90; 90; 90
6546.4Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021106 CIF
HKL
Paper
Cl3 Cu RbC 2 2 217.053; 11.864; 11.785
90; 90; 90
986.1Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo
ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity
Acta Crystallographica Section C, 2018, 74, 529-533
2021107 CIF
HKL
Paper
C16 H35 N7 O7P 1 21/n 19.7361; 13.7118; 16.1437
90; 92.249; 90
2153.52Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547
2021108 CIF
HKL
Paper
C16 H35 N7 O7P 1 21 18.807; 14.9505; 16.6376
90; 95.903; 90
2179Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547
2021109 CIF
HKL
Paper
Bi5 La3 TiP 63/m c m9.6871; 9.6871; 6.4528
90; 90; 120
524.4Ovchinnikov, Alexander; Bobev, Svilen
Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction
Acta Crystallographica Section C, 2018, 74, 618-622
2021110 CIF
HKL
Paper
C78 H126 La O18 P3P 1 21/c 123.511; 10.6098; 33.8618
90; 92.1502; 90
8440.8Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021111 CIF
HKL
Paper
C78 H126 Ce O18 P3P 1 21/c 123.578; 10.6366; 33.808
90; 92.022; 90
8473.4Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021112 CIF
HKL
Paper
C78 H126 Nd O18 P3P 1 21/c 123.5159; 10.6376; 33.6934
90; 92.038; 90
8423.2Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021113 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021114 CIFC18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021115 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021118 CIF
HKL
Paper
C18 H20 B N O6P -19.05; 10.006; 11.082
69.207; 79.497; 82.267
919.8Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia
Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates
Acta Crystallographica Section C, 2018, 74, 411-417
2021119 CIF
HKL
C17 H18 B N O6P 1 21/c 111.529; 8.885; 17.216
90; 108.308; 90
1674.3Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia
Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates
Acta Crystallographica Section C, 2018, 74, 411-417
2021120 CIF
HKL
Paper
C14 H14 N8 OP 1 21/c 15.8043; 31.562; 7.898
90; 95.86; 90
1439.3Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia
Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative
Acta Crystallographica Section C, 2018, 74
2021121 CIF
HKL
Paper
C7 H11 Cl N2 O2P 1 21/n 110.2225; 9.6736; 10.2678
90; 112.165; 90
940.3Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena
Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021122 CIF
HKL
Paper
C24 H26 F N OP 1 21/c 113.4219; 8.3679; 18.5974
90; 98.348; 90
2066.6Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021123 CIF
HKL
Paper
C26 H31 N O3P 1 21/c 119.1378; 16.2788; 7.5525
90; 98.386; 90
2327.8Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021124 CIF
HKL
Paper
C27 H23 F N2 O3P -17.0689; 8.2072; 20.1397
94.401; 97.829; 106.575
1101.18Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021125 CIF
HKL
Paper
C132 H203 La2 O23 P5P 1 21/n 127.4921; 16.9467; 30.909
90; 106.801; 90
13785.8Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization
Acta Crystallographica Section C, 2018, 74
2021126 CIF
HKL
Paper
C134 H211 Nd2 O25 P5P -115.094; 17.491; 27.444
102.142; 95.211; 90.412
7052Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization
Acta Crystallographica Section C, 2018, 74
2021127 CIFC23 H31 Cl F N3 O5P 1 21/n 112.3225; 14.5183; 13.8141
90; 98.361; 90
2445.1Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong
A new polymorph of the gastrokinetic drug cisapride monohydrate
Acta Crystallographica Section C, 2018, 74
2021128 CIF
HKL
Paper
C21 H24 N6 O3 SP 1 21/c 110.801; 17.301; 11.777
90; 104.28; 90
2132.7Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher
A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates
Acta Crystallographica Section C, 2018, 74

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