Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7063185 | CIF | C16 H13 N O | P -1 | 7.4062; 7.8098; 10.9025 101.137; 93.235; 96.394 | 612.92 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: Regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024 |
| 7063186 | CIF | C11 H11 N O | C 1 2/c 1 | 13.5293; 7.3263; 19.0986 90; 99.741; 90 | 1865.75 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: Regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024 |
| 7063187 | CIF | C21 H14 Br N O | P -1 | 8.6408; 9.9341; 10.3685 98.203; 101.166; 103.107 | 834.05 | Altia, Minakshi; Anbarasan, Pazhamalai α-Hydroxydimethylacetal/ketal as α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: Regioselective synthesis of substituted C2- and C3-acylindoles New Journal of Chemistry, 2024 |
| 7063188 | CIF | C16 H18 Cl2 Cu N6 O | P -1 | 8.2703; 9.9089; 12.7807 71.309; 73.3; 76.991 | 940.02 | Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath Triazine-based mononuclear copper() cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities New Journal of Chemistry, 2024 |
| 7063189 | CIF | C15 H16 Br2 Cu N6 O | P 1 21/c 1 | 11.651; 8.625; 17.945 90; 93.08; 90 | 1801 | Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath Triazine-based mononuclear copper() cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities New Journal of Chemistry, 2024 |
| 7063190 | CIF | C97 H33 N2 | P 1 21/n 1 | 10.6964; 15.0127; 33.7803 90; 92.748; 90 | 5418.3 | Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Monomers and Dimers of Fullerenes in the Radical Anion Salts with Dye: (Astrophloxine+)2{C60(•-)}2 and (Astrophloxine+)2{C70(-)}2. Suppression of the C60(•-) Dimerization by π-Stacking New Journal of Chemistry, 2024 |
| 7063191 | CIF | C186 H84 Cl2 N4 | P -1 | 13.9175; 19.587; 20.4465 89.537; 85.172; 88.474 | 5551.9 | Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Monomers and Dimers of Fullerenes in the Radical Anion Salts with Dye: (Astrophloxine+)2{C60(•-)}2 and (Astrophloxine+)2{C70(-)}2. Suppression of the C60(•-) Dimerization by π-Stacking New Journal of Chemistry, 2024 |
| 7063192 | CIF | C21 H23 Cl N6 O5 Zn | P 1 21/n 1 | 7.6526; 22.902; 13.4603 90; 95.463; 90 | 2348.3 | Singh, Simranjeet; Choudhary, Mukesh Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein New Journal of Chemistry, 2024 |
| 7063193 | CIF | C38 H30 N8 O2 Zn | P 1 21/n 1 | 11.1706; 16.9294; 17.7601 90; 98.832; 90 | 3318.8 | Singh, Simranjeet; Choudhary, Mukesh Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein New Journal of Chemistry, 2024 |
| 7063194 | CIF | C8 H6 Cl N6 O9 Ru | P -1 | 11.832; 10.309; 7.057 100.36; 103.78; 73.31 | 795 | Alhadhrami, Abdulrahman Nano-Crystallites of Ruthenium(III) Violurate Complex: Synthesis, Characterization, PXRD and DFT Structural Analysis. DNA/ HSA -Binding, Antiviral Activity Against COVID-19 and Molecular Docking Study New Journal of Chemistry, 2024 |
| 7063195 | CIF | C36 H44 Co F6 N2 P3 S4 | C 1 2/c 1 | 17.4123; 17.6371; 14.0413 90; 108.348; 90 | 4092.9 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024 |
| 7063196 | CIF | C40 H52 Co F6 N2 P3 S4 | I 1 2/a 1 | 16.504; 16.1848; 18.6771 90; 116.071; 90 | 4481.3 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024 |
| 7063197 | CIF | C44 H60 Co F6 N2 P3 S4 | P -1 | 12.2405; 13.8324; 16.1225 71.561; 84.15; 89.844 | 2574.9 | Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav 1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions New Journal of Chemistry, 2024 |
| 7063198 | CIF | C14 H10 N2 O | P 1 21/n 1 | 6.5833; 13.825; 24.715 90; 91.627; 90 | 2248.5 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole derived multifunctional organic materials - from solid state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024 |
| 7063199 | CIF | C15 H13 I N2 O3 | P 1 21/n 1 | 7.203; 16.679; 13.419 90; 92.582; 90 | 1610.5 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole derived multifunctional organic materials - from solid state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024 |
| 7063200 | CIF | C16 H13 F3 N2 O4 S | P -1 | 6.6963; 7.3887; 17.6221 80.201; 81.214; 76.968 | 831.08 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole derived multifunctional organic materials - from solid state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024 |
| 7063201 | CIF | C28 H20 N4 O2 | P -1 | 6.4328; 9.342; 9.841 105.347; 105.02; 91.233 | 548.2 | Baskar, Shyamvarnan; Kole, Goutam Kumar 3-Pyridylvinyl benzoxazole derived multifunctional organic materials - from solid state photoreactivity to photophysical and electrochemical properties New Journal of Chemistry, 2024 |
| 7063202 | CIF | C71 H43 Cl20 Cr Fe N8 O2 Sn | P c c n | 18.8458; 29.6617; 27.42 90; 90; 90 | 15327.7 | Finogenov, Daniil; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya; Konarev, Dmitri V.; Stuzhin, Pavel A. Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties New Journal of Chemistry, 2024 |
| 7063203 | CIF | C57 H60 Cl2 S2 | P -1 | 14.4868; 15.5221; 22.5994 75.521; 80.754; 84.376 | 4847.6 | Hara, Yasuto; Kozuka, Kumpei; Imato, Keiichi; Akiyama, Seiji; Ishida, Mio; Ooyama, Yousuke Synthesis, optical and electrochemical properties of 1,1',3,3'-tetraaryl-4,4'-bibenzo[c]thiophene derivatives with same or different aryl substituents on the thiophene rings New Journal of Chemistry, 2024 |
| 7063204 | CIF | C129.5 H84 Cu6 N30 O17.5 | P -1 | 12.8621; 14.6778; 17.1404 76.085; 70.053; 81.249 | 2943.8 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024 |
| 7063205 | CIF | C121 H112 Cu6 N18 O23 | P -1 | 10.8162; 17.0096; 17.4195 106.572; 100.636; 107.752 | 2793 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024 |
| 7063206 | CIF | C138 H88 Cu6 N36 O14 | P -1 | 14.4764; 15.1477; 16.438 106.667; 95.92; 110.424 | 3152.1 | Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q. Structural basis for Cu(ii) metallocycle hexamer formation New Journal of Chemistry, 2024 |
| 7063207 | CIF | C20 H16 N2 O2 | P 1 21/c 1 | 5.9603; 16.543; 16.323 90; 91.415; 90 | 1609 | İNCİ ÖZBAĞCI, Duygu; Ilkar Erdagi, Sevinc; Aydın, İpek; Aydin, Rahmiye; Zorlu, Yunus; Arı, Ferda A Comparative study on the synthesis and crystal structures of Ni(II) complexes bearing tetradentate N2O2 donor Schiff bases: Biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024 |
| 7063208 | CIF | C20 H14 N2 Ni O2 | P 21 21 21 | 5.4386; 16.592; 17.27 90; 90; 90 | 1558.4 | İNCİ ÖZBAĞCI, Duygu; Ilkar Erdagi, Sevinc; Aydın, İpek; Aydin, Rahmiye; Zorlu, Yunus; Arı, Ferda A Comparative study on the synthesis and crystal structures of Ni(II) complexes bearing tetradentate N2O2 donor Schiff bases: Biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024 |
| 7063209 | CIF | C16 H14 N2 Ni O2 | P b c a | 7.465; 13.788; 26.074 90; 90; 90 | 2683.7 | İNCİ ÖZBAĞCI, Duygu; Ilkar Erdagi, Sevinc; Aydın, İpek; Aydin, Rahmiye; Zorlu, Yunus; Arı, Ferda A Comparative study on the synthesis and crystal structures of Ni(II) complexes bearing tetradentate N2O2 donor Schiff bases: Biomolecular interactions, cytotoxicities and molecular docking New Journal of Chemistry, 2024 |
| 7063210 | CIF | C30 H28 I4 N6 Pt2 | C 1 2 1 | 14.136; 8.7735; 17.072 90; 97.292; 90 | 2100.2 | Naskar, Rajat; Mondal, Bhaskar; Sengupta, Diya; Ghosh, Aninda; Garai, Somenath; Maity, Ramananda Dinuclear platinum(II) complexes with biphenyl-based bis-carbene ligands New Journal of Chemistry, 2024 |
| 7063211 | CIF | C20 H23 N O2 | P -1 | 8.0745; 10.6294; 11.2471 102.303; 109.671; 103.453 | 838.09 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functional Tails Decisive Photoluminescence Emissions and the Advanced Applications in the Field of Time-Resolved Information Input and Erasure New Journal of Chemistry, 2024 |
| 7063212 | CIF | C20 H24 Br N | P b c a | 16.3774; 7.78421; 27.7655 90; 90; 90 | 3539.69 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functional Tails Decisive Photoluminescence Emissions and the Advanced Applications in the Field of Time-Resolved Information Input and Erasure New Journal of Chemistry, 2024 |
| 7063213 | CIF | C21 H28 Br N3 S | P 1 21/c 1 | 13.7731; 9.3347; 16.8784 90; 98.835; 90 | 2144.27 | Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang Functional Tails Decisive Photoluminescence Emissions and the Advanced Applications in the Field of Time-Resolved Information Input and Erasure New Journal of Chemistry, 2024 |
| 7063214 | CIF | C7 H6 Cu I N4 | C 1 2 1 | 21.0987; 6.1425; 7.414 90; 101.875; 90 | 940.28 | Yang, Hui; Kuang, Xiaofei; Mi, Yinghao; Wang, Mingming; Zhao, Yu-Qing; Lin, Fulin; Lu, Can-Zhong Construction and characterization of inorganic-organic hybrid copper(I) iodide coordination polymer with the semiconducting luminescence New Journal of Chemistry, 2024 |
| 7063215 | CIF | C35 H26 F3 N3 O2 | P -1 | 10.8114; 11.3929; 12.8702 106.897; 95.882; 109.726 | 1391.96 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024 |
| 7063216 | CIF | C24 H24 N2 O4 | P 1 21/n 1 | 10.8433; 9.7755; 19.606 90; 101.988; 90 | 2032.9 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024 |
| 7063217 | CIF | C29 H27 Cl3 N2 O5 | P -1 | 10.0106; 10.5842; 14.4812 76.236; 72.035; 87.625 | 1416.8 | Krishnan, Ashokkumar; Kamaraj, Sriraghavan High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation New Journal of Chemistry, 2024 |
| 7063218 | CIF | C25 H18 Fe N2 O2 | P -1 | 7.3724; 9.8599; 13.615 83.109; 84.277; 85.557 | 975.5 | Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy Effect of phenyl group on non-linear optical (NLO) and aggregation induced emission (AIE) studies of ferrocene conjugated linear D-π-A/ D-π-A-π-A chromophores New Journal of Chemistry, 2024 |
| 7063219 | CIF | C31 H22 Fe N2 O2 | P 1 c 1 | 15.505; 5.9113; 13.0683 90; 103.741; 90 | 1163.5 | Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy Effect of phenyl group on non-linear optical (NLO) and aggregation induced emission (AIE) studies of ferrocene conjugated linear D-π-A/ D-π-A-π-A chromophores New Journal of Chemistry, 2024 |
| 7063220 | CIF | C18 H18 N2 O2 | P 1 21/n 1 | 12.5261; 7.3772; 16.8208 90; 98.222; 90 | 1538.39 | Saikia, Anil Kumar; Biswas, Subhamoy; Bora, Surjya Kumar; Arandhara, Pallav Jyoti Regioselective synthesis of spiro quinazolinones via sequential hydroalkoxylation and intramolecular amide-cyclization of alkynol ureas New Journal of Chemistry, 2024 |
| 7063221 | CIF | C22 H23 Br2 N O3 | P -1 | 8.149; 9.669; 14.769 101.961; 96.161; 95.866 | 1122.5 | Zeyu, Yi; Sun, Na; Gu, Peiming; Ji, Yang; Li, Rui Rh2(esp)2-catalyzed three-component reaction of diazo compound, alkyl azide and allylboronate for synthesis of homoallylic amine derivatives New Journal of Chemistry, 2024 |
| 7063222 | CIF | C24 H16 Br6 N2 O2 | P 1 21/n 1 | 15.2907; 4.0298; 22.1448 90; 106.353; 90 | 1309.33 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2 + 2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024 |
| 7063223 | CIF | C24 H16 Cl6 N2 O2 | P -1 | 3.8425; 11.4827; 13.8828 94.128; 94.256; 95.001 | 606.63 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2 + 2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024 |
| 7063224 | CIF | C24 H16 F6 N2 O2 | P 1 21/n 1 | 16.4149; 3.8067; 17.2311 90; 99.309; 90 | 1062.53 | Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2 + 2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene New Journal of Chemistry, 2024 |
| 7063225 | CIF | C66 H39 N6 O13 Zn3 | P -3 1 c | 16.737; 16.737; 15.8689 90; 90; 120 | 3849.75 | Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yuechao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian A pacs-type metal-organic framework with high adsorption capacity for inverse C2H6/C2H4 separation New Journal of Chemistry, 2024 |
| 7063226 | CIF | C48 H48 N6 Ni3 O13 | P 63/m m c | 16.7926; 16.7926; 14.6396 90; 90; 120 | 3575.2 | Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yuechao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian A pacs-type metal-organic framework with high adsorption capacity for inverse C2H6/C2H4 separation New Journal of Chemistry, 2024 |
| 7063227 | CIF | C23 H20 N6 O5 S | P -1 | 7.2165; 12.287; 13.0501 72.09; 80.149; 83.652 | 1082.8 | Kohli, Anjum; Malik, Asif A.; Ganie, Arshid Ahmad; Dar, Aijaz A. Multi-Stimuli Responsive Fluorochromic Organic Salt New Journal of Chemistry, 2024 |
| 7063228 | CIF | C24 H61 N4 O12 P3 | P -1 | 9.7371; 12.1048; 15.7768 71.092; 83.131; 87.29 | 1746.5 | Makhlouf, Jawher; El Bakri, Youness; Bian, Wensheng; Ahsin, Atazaz; Al-Salahi, Rashad; Valkonen, Arto; Smirani, Wajda Crystal structure and electronic structure calculations of a novel organic triphosphate complex: excellent electrochemical properties with ultra-efficient lithium storage capacity New Journal of Chemistry, 2024 |
| 7063229 | CIF | C38 H41 Cl2 N5 O2 Zn | P 1 21/c 1 | 25.8134; 8.453; 19.2889 90; 105.653; 90 | 4052.8 | Chand, Prem; Kumar, Ashish High-fidelity detection of Picric acid following proton prompted fluorescence quenching by a novel acridine yellow G based binuclear ZnII-metallacycle New Journal of Chemistry, 2024 |
| 7063230 | CIF | C32 H34 Cu2 N10 O2 | P -1 | 9.489; 9.759; 10.043 63.432; 89.48; 71.598 | 779.7 | Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi Investigation of the inherent characteristics of copper(II) Schiff base complexes as antimicrobial agents New Journal of Chemistry, 2024 |
| 7063231 | CIF | C17 H19 Cu N5 O | P c c n | 13.7472; 28.684; 8.5539 90; 90; 90 | 3373 | Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi Investigation of the inherent characteristics of copper(II) Schiff base complexes as antimicrobial agents New Journal of Chemistry, 2024 |
| 7063232 | CIF | C40 H32 Cu N O P2 | P m n 21 | 17.3563; 11.8638; 8.1509 90; 90; 90 | 1678.37 | moussa, jamal; Gontard, Geoffrey Novel heteroleptic copper(I) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands New Journal of Chemistry, 2024 |
| 7063233 | CIF | C37 H30 Cu N O2 P2 | P 1 21/n 1 | 8.3072; 18.5057; 19.9706 90; 94.867; 90 | 3059.02 | moussa, jamal; Gontard, Geoffrey Novel heteroleptic copper(I) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands New Journal of Chemistry, 2024 |
| 7063234 | CIF | C96 H86 Cl8 Fe2 N8 O28 Zn4 | P 1 21/c 1 | 12.175; 27.856; 16.416 90; 113.189; 90 | 5118 | Pantelis, Konstantinos; Skiadas, Sotiris G.; Lada, Zoi G.; Clerac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO'O'' Schiff-base ligands New Journal of Chemistry, 2024 |
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