Crystallography Open Database
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Searching volume of publication is 13
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7247707 | CIF | C11 H24 | P -1 | 4.1808; 4.7113; 29.53 93.609; 90.41; 107.274 | 554.1 | Poręba, Tomasz; Kicior, Inga Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes RSC Advances, 2023, 13, 33305-33317 |
| 7247729 | CIF | C172 H65 Cl | P -1 | 11.75; 14.98; 15.88 106.46; 101.62; 98.45 | 2563 | Mei, Peifeng; Morimoto, Hirofumi; Okada, Yuta; Matsuo, Kyohei; Hayashi, Hironobu; Saeki, Akinori; Yamada, Hiroko; Aratani, Naoki Complexation study of a 1,3-phenylene-bridged cyclic hexa-naphthalene with fullerenes C60 and C70 in solution and 1D-alignment of fullerenes in the crystals RSC Advances, 2023, 13, 33459-33462 |
| 7247744 | CIF | C24 H16 Br N | P 1 21/n 1 | 11.338; 12.4628; 13.4549 90; 106.655; 90 | 1821.5 | Yang, Ruchun; Xiong, Yongge; Deng, Si; Bai, Jiang; Song, Xian-Rong; Xiao, Qiang NBS-mediated bromination and dehydrogenation of tetrahydro-quinoline in one pot: scope and mechanistic study RSC Advances, 2023, 13, 33495-33499 |
| 7247752 | CIF | C16 H12 Cl2 N2 O2 S | P 1 21/n 1 | 13.6684; 9.1256; 14.0839 90; 111.168; 90 | 1638.18 | Qadri, Tahir; Aziz, Mubashir; Channar, Pervaiz Ali; Ejaz, Syeda Abida; Hussain, Mumtaz; Attaullah, Hafiz Muhammad; Ujan, Rabail; Hussain, Zahid; Zehra, Tasneem; Saeed, Aamer; Shah, M. R.; Ogaly, Hanan A.; Al-Zahrani, Fatimah A. M. Synthesis, biological evaluation and in silico investigations of benzotriazole derivatives as potential inhibitors of NIMA related kinase RSC Advances, 2023, 13, 33826-33843 |
| 7247753 | CIF | C39 H26 N4 | P -1 | 6.8042; 9.4238; 27.8269 90.365; 92.745; 102.252 | 1741.41 | Wu, Gui-Yuan; Zhu, Hui-Min; Li, Hao; Zhang, Kai; Zhang, Xianyi; Yan, Dong; Zhang, Xiu-Du; Lin, Lili; Lu, Zhou The impact of aggregation of AIE and ACQ moiety-integrating material on the excited state dynamics RSC Advances, 2023, 13, 33911-33917 |
| 7247758 | CIF | C20 H40 O2 | P 1 21/c 1 | 48.478; 7.4; 5.597 90; 93.301; 90 | 2004.5 | Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F. New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations RSC Advances, 2023, 13, 34032-34044 |
| 7247759 | CIF | C20 H40 O2 | P 1 21/c 1 | 48.445; 7.1499; 5.5267 90; 92.785; 90 | 1912.1 | Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F. New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations RSC Advances, 2023, 13, 34032-34044 |
| 7247760 | CIF | C16 H11 Cl F3 N3 O S | P 21 21 21 | 4.7906; 13.1169; 25.4767 90; 90; 90 | 1600.9 | Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking RSC Advances, 2023, 13, 34064-34077 |
| 7247761 | CIF | C15 H10 Cl F2 N3 O S | I b a 2 | 28.8781; 13.8936; 7.7325 90; 90; 90 | 3102.44 | Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking RSC Advances, 2023, 13, 34064-34077 |
| 7247780 | CIF | C3.87 H4.13 Cl0.13 F0.13 N0.52 O0.65 | P 1 21/c 1 | 9.5711; 37.8741; 7.842 90; 101.89; 90 | 2781.71 | Takkar, Priya; Singh, Bholey; Pani, Balaram; Kumar, Rakesh Design, synthesis and in silico evaluation of newer 1,4-dihydropyridine based amlodipine bio-isosteres as promising antihypertensive agents RSC Advances, 2023, 13, 34239-34248 |
| 7247781 | CIF | C21 H20 O3 S | C 1 2/c 1 | 22.2427; 5.4882; 29.653 90; 90.096; 90 | 3619.8 | Shaw, Ranjay; Prakash, Prasoon; Althagafi, Ismail; Giri, Nand Gopal; Pratap, Ramendra 1,3-Dianionic annulation of ketones with ketene dithioacetal: a modified route to 3-aryl/cyclopropyl-5-thiomethyl-phenols and 1-(methylthio)-9,10-dihydrophenanthren-3-ols RSC Advances, 2023, 13, 34299-34307 |
| 7247792 | CIF | C30 H28 O4 P2 S2 | P 21 21 21 | 7.4304; 16.7705; 22.5342 90; 90; 90 | 2808.02 | Ramazanova, Kyzgaldak; Chakrabortty, Soumyadeep; Müller, Bernd H.; Lönnecke, Peter; de Vries, Johannes G.; Hey-Hawkins, Evamarie Synthesis of P-stereogenic 1-phosphanorbornane-derived phosphine–phosphite ligands and application in asymmetric catalysis RSC Advances, 2023, 13, 34439-34444 |
| 7247793 | CIF | C69.25 H68.05 Cl0.45 N6 | P 1 21/c 1 | 12.857; 12.102; 18.856 90; 104.22; 90 | 2844 | Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant RSC Advances, 2023, 13, 34520-34523 |
| 7247794 | CIF | C62 H52 N6 O2 | P 1 21/n 1 | 11.156; 12.563; 17.063 90; 96.4; 90 | 2376.5 | Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant RSC Advances, 2023, 13, 34520-34523 |
| 7247795 | CIF | C57 H59 Cl9 N6 | C 1 2/c 1 | 61.463; 13.878; 39.531 90; 102.04; 90 | 32978 | Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant RSC Advances, 2023, 13, 34520-34523 |
| 7247800 | CIF | C21 H25 I2 N5 O3 | P 1 21/c 1 | 15.8789; 10.783; 15.3311 90; 110.401; 90 | 2460.4 | Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction RSC Advances, 2023, 13, 34817-34825 |
| 7247801 | CIF | C31 H25 Cl2 N5 O2 Pd | P -1 | 9.507; 11.2651; 13.3444 86.589; 73.216; 76.076 | 1327.99 | Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction RSC Advances, 2023, 13, 34817-34825 |
| 7247802 | CIF | C31 H29 Cl2 N5 O3 | P -1 | 9.2037; 11.6728; 14.0506 91.744; 101.92; 109.87 | 1380.69 | Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction RSC Advances, 2023, 13, 34817-34825 |
| 7247842 | CIF | C30 H22 N2 O8 | P -1 | 10.4827; 11.1537; 12.5636 77.997; 76.934; 62.455 | 1259.59 | Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions RSC Advances, 2023, 13, 35617-35620 |
| 7247843 | CIF | C26 H23 N O6 | P 1 21/n 1 | 11.3722; 10.3911; 18.8309 90; 96.105; 90 | 2212.62 | Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions RSC Advances, 2023, 13, 35617-35620 |
| 7247853 | CIF | C36 H43 N7 O6 | P 1 21/a 1 | 10.9638; 22.3683; 14.3096 90; 102.531; 90 | 3425.7 | Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures RSC Advances, 2023, 13, 35773-35780 |
| 7247872 | CIF | C8 H6 N4 Se2 | P -1 | 5.8558; 6.9698; 6.97 63.53; 87.994; 69.991 | 236.93 | Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G. One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations RSC Advances, 2023, 13, 36392-36402 |
| 7247873 | CIF | C12 H14 N4 Se2 | P 1 21/c 1 | 5.6131; 5.3878; 23.1681 90; 95.706; 90 | 697.18 | Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G. One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations RSC Advances, 2023, 13, 36392-36402 |
| 7247874 | CIF | C12 H14 N4 Se | P c a 21 | 16.2906; 6.3136; 12.7839 90; 90; 90 | 1314.85 | Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G. One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations RSC Advances, 2023, 13, 36392-36402 |
| 8000566 | CIF | C6 H5 N O2 | P 1 21/c 1 | 7.176; 11.6702; 7.2267 90; 113.519; 90 | 554.93 | Chen, Yi; Xie, Yujun; Li, Zhen Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array. The journal of physical chemistry letters, 2022, 13, 1652-1659 |
| 8000567 | CIF | C6 H5 N O2 | P -1 | 6.3923; 7.2424; 7.4683 103.707; 114.869; 106.137 | 275.38 | Chen, Yi; Xie, Yujun; Li, Zhen Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array. The journal of physical chemistry letters, 2022, 13, 1652-1659 |
| 9004081 | CIF | Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9 | P 4/n n c :2 | 15.516; 15.516; 11.769 90; 90; 90 | 2833.34 | Rucklidge J C; Kocman V; Whitlow S H; Gabe E J The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004082 | CIF | Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 | P 4/n n c :2 | 15.558; 15.558; 11.81 90; 90; 90 | 2858.63 | Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004083 | CIF | Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 | P 4/n n c :2 | 15.543; 15.543; 11.7905 90; 90; 90 | 2848.41 | Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield The Canadian Mineralogist, 1975, 13, 15-21 |
| 9004084 | CIF | Al0.525 Ca0.492 Fe0.475 Na0.508 O6 Si2 | P 1 2/n 1 | 9.622; 8.826; 5.279 90; 106.92; 90 | 428.906 | Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B. Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Tronto The Canadian Mineralogist, 1975, 13, 62-67 |
| 9004085 | CIF | Al0.481 Ca0.466 Fe0.518 Na0.534 O6 Si2 | P 1 2/n 1 | 9.622; 8.826; 5.279 90; 106.92; 90 | 428.906 | Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B. Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Winnipeg The Canadian Mineralogist, 1975, 13, 62-67 |
| 9004086 | CIF | Co8.84 S8 | F m -3 m | 9.923; 9.923; 9.923 90; 90; 90 | 977.078 | Rajamani V; Prewitt C T Refinement of the structure of Co9S8 The Canadian Mineralogist, 1975, 13, 75-78 |
| 9004087 | CIF | Al0.088 Ca0.006 Cr0.038 Fe2.205 Mg0.05 Mn0.014 O4 Si0.008 Ti0.59 V0.02 | F d -3 m :2 | 8.3976; 8.3976; 8.3976 90; 90; 90 | 592.196 | Stout, M. Z.; Bayliss, P. Crystal structure of a natural titanomagnetite The Canadian Mineralogist, 1975, 13, 86-88 |
| 9004088 | CIF | Pd0.486 Pt0.302 Sn0.212 | F m -3 m | 3.991; 3.991; 3.991 90; 90; 90 | 63.569 | Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R. Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa The Canadian Mineralogist, 1975, 13, 146-150 |
| 9004089 | CIF | Pd0.486 Pt0.398 Sn0.217 | F m -3 m | 3.991; 3.991; 3.991 90; 90; 90 | 63.569 | Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R. Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa The Canadian Mineralogist, 1975, 13, 146-150 |
| 9004090 | CIF | Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06 | R 3 m :H | 15.992; 15.992; 7.19 90; 90; 120 | 1592.45 | Fortier, S.; Donnay, G. Schorl refinement showing composition dependence of the tourmaline structure The Canadian Mineralogist, 1975, 13, 173-177 |
| 9004091 | CIF | O4 S Sr | P n m a | 8.36; 5.352; 6.858 90; 90; 90 | 306.846 | Hawthorne, F. C.; Ferguson, R. B. Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite The Canadian Mineralogist, 1975, 13, 181-187 |
| 9004092 | CIF | Na2 O4 S | F d d d :2 | 9.829; 12.302; 5.868 90; 90; 90 | 709.537 | Hawthorne, F. C.; Ferguson, R. B. Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite The Canadian Mineralogist, 1975, 13, 181-187 |
| 9004093 | CIF | Co S Sb | P n 21 m | 4.873; 5.852; 3.608 90; 90; 90 | 102.889 | Rowland, J. F.; Gabe, E. J.; Hall, S. R. The crystal structures of costibite (CoSbS) and paracostibite(CoSbS) The Canadian Mineralogist, 1975, 13, 188-196 |
| 9004094 | CIF | Co S Sb | P b c a | 5.842; 5.951; 11.666 90; 90; 90 | 405.577 | Rowland, J. F.; Gabe, E. J.; Hall, S. R. The crystal structures of costibite (CoSbS) and paracostibite(CoSbS) The Canadian Mineralogist, 1975, 13, 188-196 |
| 9004095 | CIF | C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr | P 1 | 8.966; 8.98; 6.73 102.72; 116.65; 60.66 | 422.176 | Grice, J. D.; Perrault, G. The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed. The Canadian Mineralogist, 1975, 13, 209-216 |
| 9004096 | CIF | Ca O4 S | A m m a | 6.993; 6.995; 6.245 90; 90; 90 | 305.481 | Hawthorne, F. C.; Ferguson, R. B. Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite The Canadian Mineralogist, 1975, 13, 289-292 |
| 9004097 | CIF | Al F6 Na3 | P 1 21/n 1 | 5.4024; 5.5959; 7.7564 90; 90.278; 90 | 234.483 | Hawthorne, F. C.; Ferguson, R. B. Refinement of the crystal structure of cryolite The Canadian Mineralogist, 1975, 13, 377-382 |
| 9004098 | CIF | C Ca O5 Te | P b c a | 6.988; 11.201; 10.566 90; 90; 90 | 827.028 | Fischer, R.; Pertlik, F.; Zemann, J. The crystal structure of mroseite, CaTeO2(CO3) The Canadian Mineralogist, 1975, 13, 383-387 |
| 9005464 | CIF | Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 | P -4 21 m | 7.754; 7.754; 5.101 90; 90; 90 | 306.695 | Bindi, L.; Bonazzi, P.; Fitton, J. G. Crystal chemistry of strontian soda melilite from nephelinite lava of Mt. Etinde, Cameroon Sample: ET1 European Journal of Mineralogy, 2001, 13, 121-125 |
| 9005465 | CIF | Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 | P -4 21 m | 7.764; 7.764; 5.095 90; 90; 90 | 307.125 | Bindi, L.; Bonazzi, P.; Fitton, J. G. Crystal chemistry of strontian soda melilite from nephelinite lave of Mt. Etinde, Cameroon Sample: ET2 European Journal of Mineralogy, 2001, 13, 121-125 |
| 9005466 | CIF | H2 Mn2 O10 Pb0.83 Sr0.17 V2 | C 1 2/m 1 | 9.2953; 6.2894; 7.6906 90; 118.068; 90 | 396.728 | Brugger, J.; Armbruster, T.; Criddle, A. J.; Berlepsch, P.; Graeser, S.; Reeves, S. Description, crystal structure, and paragenesis of krettnichite, PbMn2(VO4)2(OH)2, the Mn3+ analogue of mounanaite European Journal of Mineralogy, 2001, 13, 145-158 |
| 9005467 | CIF | B Nb0.52 O4 Ta0.48 | I 41/a m d :1 | 6.219; 6.219; 5.487 90; 90; 90 | 212.215 | Demartin, F.; Diella, V.; Gramaccioli, C. M.; Pezzotta, F. Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite European Journal of Mineralogy, 2001, 13, 159-165 |
| 9005468 | CIF | As Bi Ni O5 | P -1 | 6.7127; 6.8293; 5.2345 107.625; 95.409; 111.158 | 207.616 | Roberts, A. C.; Burns, P. C.; Gault, R. A.; Criddle, A. J.; Feinglos, M. N.; Stirling, J. A. R. Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure European Journal of Mineralogy, 2001, 13, 167-175 |
| 9005469 | CIF | Bi2.94 S0.32 Se1.73 Te1.01 | P -3 m 1 | 4.264; 4.264; 23.25 90; 90; 120 | 366.09 | Ridkosil, T.; Skala, R.; Johan, Z.; Srein, V. Telluronevskite, Bi3TeSe2, a new mineral European Journal of Mineralogy, 2001, 13, 177-185 |
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