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 |
| 7100747 | CIF | C18 H17 N3 O | P 1 21/n 1 | 10.99; 18.366; 15.123 90; 96.53; 90 | 3033 | Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto Pyrrolylamidourea based anion receptors New Journal of Chemistry, 2006, 30, 1019 |
| 7100748 | CIF | C41 H56 N6 O3 S | P 1 2/c 1 | 22.9059; 8.5806; 40.738 90; 93.308; 90 | 7993.6 | Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto Pyrrolylamidourea based anion receptors New Journal of Chemistry, 2006, 30, 1019 |
| 7100749 | CIF | C25 H21 N5 O4 | P 1 21/c 1 | 18.021; 8.0777; 16.7769 90; 115.523; 90 | 2203.86 | Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto Pyrrolylamidourea based anion receptors New Journal of Chemistry, 2006, 30, 1019 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
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