Crystallography Open Database
Search results
Result: there are 831 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Chem. Sci.' volume of publication is 6
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1518527 | CIF | C38 H48 N2 O4 | P 1 21/c 1 | 14.93217; 14.22602; 15.93712 90; 100.89; 90 | 3324.49 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518528 | CIF | C30 H40 N2 O4 Si4 | P -1 | 8.5558; 11.887; 17.0071 99.115; 92.129; 94.397 | 1700.67 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518529 | CIF | C34 H52 N2 O4 Si6 | P -1 | 8.6514; 11.8373; 20.4256 82.751; 87.339; 86.175 | 2068.9 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518530 | CIF | C152.05 H75.74 Cl2.21 F40 N12 S8 | P -1 | 18.9073; 20.7452; 21.091 67.38; 77.21; 65.257 | 6917.2 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518531 | CIF | C87.05 H40.13 Cl3.96 F20 N6 S6 | C 1 2/c 1 | 49.998; 12.402; 35.242 90; 131.613; 90 | 16338 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518532 | CIF | C95.3 H48 Cl2.3 F20 N6 O0.5 S8 | P -1 | 17.2734; 18.9028; 30.1289 105; 92.92; 107.23 | 8989 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518536 | CIF | C18 H11 F6 N O3 | C 1 2/c 1 | 32.403; 6.8959; 15.25 90; 97.03; 90 | 3382 | Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan Rh(iii)-catalyzed C–H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant Chem. Sci., 2015, 6, 1923 |
| 1518540 | CIF | C18 H33 N2 O8 S2 | P -1 | 7.8956; 9.6557; 14.916 77.311; 81.835; 86.214 | 1097.43 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518541 | CIF | C36 H66 N4 O16 S4 | I 1 2/c 1 | 19.4827; 7.7013; 30.1416 90; 101.758; 90 | 4427.61 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518542 | CIF | C28.7552 H49.5104 N8 O14 S4 | P -1 | 9.7673; 9.8143; 10.2046 94.88; 96.822; 95.184 | 962.76 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518545 | CIF | C14 H34 Cl Mo P3 | P 21 21 21 | 11.8282; 12.449; 13.6005 90; 90; 90 | 2002.7 | Neary, Michelle C.; Parkin, Gerard Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds Chem. Sci., 2015, 6, 1859 |
| 1518548 | CIF | C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 | P -1 | 14.6741; 15.8676; 24.1918 91.946; 106.327; 115.228 | 4812.8 | Seifert, Sabine; Schmidt, David; Würthner, Frank An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis Chem. Sci., 2015, 6, 1663 |
| 1518587 | CIF | C56 H92 Cl2 Co2 I2 N4 P4 Ti2 | P b c a | 18.6991; 16.4217; 21.8753 90; 90; 90 | 6717.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518588 | CIF | C31 H55 Cl Co N2 P3 Ti | P 1 21/n 1 | 9.0138; 18.8395; 21.5085 90; 90.54; 90 | 3652.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518589 | CIF | C68 H104 Co2 I2 N4 O2 P4 Ti2 | P -1 | 12.5912; 13.4571; 13.5956 110.682; 94.623; 117.15 | 1835.07 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518590 | CIF | C24 H16 Au2 F8 N4 O2 | P -1 | 3.5452; 14.0087; 14.249 109.292; 91.673; 91.322 | 667.23 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518591 | CIF | C18 H4 Au2 F8 N4 | P -1 | 3.5707; 10.3087; 14.2742 107.689; 92.505; 100.205 | 489.99 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518592 | CIF | C18 H4 Au2 F8 N4 | P 1 21/c 1 | 7.79058; 18.7202; 6.74157 90; 103.167; 90 | 957.35 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518593 | CIF | C30 H51 Ir P2 | P -1 | 10.264; 16.311; 19.425 103.753; 105.008; 93.129 | 3027.6 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518594 | CIF | C31 H55 Ir O P2 | P 1 21/c 1 | 17.003; 20.0591; 9.4403 90; 102.986; 90 | 3137.41 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518595 | CIF | C24 H46 Cl Ir P2 | P 1 21/c 1 | 11.4108; 13.6574; 17.7933 90; 104.097; 90 | 2689.4 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518596 | CIF | C34 H26 F4 P2 | P 1 21/n 1 | 9.2062; 16.7452; 17.6319 90; 101.286; 90 | 2665.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518597 | CIF | C25 H22 F4 P2 | C 1 2 1 | 21.0973; 8.3882; 6.3567 90; 102.383; 90 | 1098.76 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518598 | CIF | C58 H26 B F21 P2 | P 1 21 1 | 8.4256; 21.123; 13.804 90; 95.055; 90 | 2447.2 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518599 | CIF | C59.25 H28.5 B Cl2.5 F23 P2 | P 1 21/c 1 | 18.8002; 17.1372; 17.8001 90; 102.564; 90 | 5597.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518609 | CIF | C35 H28 F6 N3 P S2 Se4 | P 1 21/n 1 | 19.6176; 7.5992; 25.2231 90; 93.7263; 90 | 3752.3 | Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R. Extreme red shifted SERS nanotags Chem. Sci., 2015, 6, 2302 |
| 1518610 | CIF | C20 H14 | P -1 | 9.6321; 11.0943; 14.7022 67.862; 79.883; 69.219 | 1359 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C–H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
| 1518611 | CIF | C24 H16 | P 1 21/c 1 | 19.1157; 5.7556; 29.6669 90; 108.002; 90 | 3104.2 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C–H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
| 1518661 | CIF | C64 H48 S4 | P 1 21/n 1 | 20.159; 5.0166; 25.728 90; 109.164; 90 | 2457.7 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518662 | CIF | C65 H50 S4 | P 1 21/n 1 | 20.1; 5.1652; 25.159 90; 109.501; 90 | 2462.2 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518663 | CIF | C68 H56 Cl2 S4 | P 1 21/c 1 | 7.6706; 17.4871; 20.506 90; 100.272; 90 | 2706.5 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518664 | CIF | C66 H52 S4 | P 1 21/n 1 | 21.43; 5.2798; 24.95 90; 111.599; 90 | 2624.8 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518665 | CIF | C66 H52 S4 | P 1 21/n 1 | 20.0834; 5.2324; 24.6005 90; 109.019; 90 | 2444.01 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518666 | CIF | C8 H16 F7 O6 P2 S2 Sb | P 1 21/n 1 | 14.5029; 8.9034; 14.9927 90; 97.26; 90 | 1920.41 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518667 | CIF | C43 H71 F9 N3 O9 P3 S3 Sb4 | P -1 | 11.4789; 11.9874; 26.0864 91.82; 97.564; 112.074 | 3284.57 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518668 | CIF | C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 | P 1 21/c 1 | 23.986; 21.83; 22.193 90; 106.57; 90 | 11138 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine–antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518669 | CIF | C31 H41 F6 N2 O6 S2 Sb | P 1 21/c 1 | 12.3127; 17.4575; 17.0214 90; 91.03; 90 | 3658.1 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518670 | CIF | C4 H9 F4 O3 P S | P 1 21/m 1 | 10.2147; 8.6511; 11.0323 90; 94.5503; 90 | 971.83 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine–antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518671 | CIF | C14 H30 F6 O6 P2 S2 | P 1 21/n 1 | 13.4271; 11.8532; 15.7504 90; 110.993; 90 | 2340.4 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518672 | CIF | C27 H24 Cl5 F6 N5 O P2 Ru | P -1 | 11.1445; 12.0548; 14.8726 67.197; 84.942; 67.025 | 1691.09 | Walden, Andrew G.; Miller, Alexander J. M. Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide Chem. Sci., 2015, 6, 2405 |
| 1518676 | CIF | C17 H25 N O2 Si | P 1 21/n 1 | 7.8451; 10.8055; 41.681 90; 92.188; 90 | 3530.7 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
| 1518677 | CIF | C19 H19 Cl2 N O S | P 1 21/c 1 | 9.4678; 22.465; 8.4857 90; 94.892; 90 | 1798.3 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C–H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
| 1518714 | CIF | C14 H26 Cl3 N4 O P Ru | P 1 21/n 1 | 6.9163; 23.66; 11.8396 90; 97.078; 90 | 1922.7 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
| 1518715 | CIF | C15 H23 Cl2 N4 O P Ru | P -1 | 10.5379; 12.8283; 13.7451 100.766; 97.279; 91.491 | 1808.34 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
| 1518716 | CIF | C42 H55 Cl2 N5 O10 | C 1 2 1 | 25.187; 8.1556; 21.154 90; 99.308; 90 | 4288.1 | Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G. Large ring-forming alkylations provide facile access to composite macrocycles Chem. Sci., 2015, 6, 2219 |
| 1518727 | CIF | C53 H53 F3 N4 O3 P2 S | C 1 c 1 | 24.05898; 12.60445; 17.26646 90; 109.899; 90 | 4923.42 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518728 | CIF | C67 H72 Cl Ir N4 P2 | P -1 | 11.53121; 15.09347; 16.48026 91.4726; 100.955; 90.9436 | 2814.45 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518729 | CIF | C54 H52 Cl Ir N4 O2 P2 | R -3 | 30.1754; 30.1754; 27.5094 90; 90; 120 | 21692.9 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518730 | CIF | C71.5 H80 Cl2 Ir2 N4 P2 | P -1 | 13.28816; 15.4534; 18.6095 66.4438; 87.7181; 64.8361 | 3131.28 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518731 | CIF | C55.5 H62 Au2 Cl3 Ir N4 P2 | P 1 21/c 1 | 12.88426; 13.46559; 30.9781 90; 99.5872; 90 | 5299.46 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!