Crystallography Open Database
Search results
Result: there are 13493 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'Chemical science'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1570762 | CIF | C138.88 H142.27 Cu4 N15.16 O44.67 | P 1 21/n 1 | 19.834; 16.8359; 25.5694 90; 96.331; 90 | 8486.15 | Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. Chemical science, 2024, 15, 2857-2866 |
| 1570763 | CIF | C22 H15 N O3 S | P 1 21/n 1 | 10.854; 10.173; 16.146 90; 95.651; 90 | 1774.1 | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science, 2024, 15, 2827-2832 |
| 1570764 | CIF | C22 H15 N O3 S | P -1 | 8.9567; 10.129; 11.0747 115.736; 95.407; 101.18 | 869.6 | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science, 2024, 15, 2827-2832 |
| 1570765 | CIF | C22 H15 N O3 S | C 1 2/c 1 | 13.7479; 17.9258; 14.2154 90; 94.773; 90 | 3491.1 | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science, 2024, 15, 2827-2832 |
| 1570766 | CIF | C22 H15 N O3 S | P -1 | 8.9045; 10.4068; 11.071 63.033; 71.405; 75.259 | 859.28 | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science, 2024, 15, 2827-2832 |
| 1570767 | CIF | C21 H13 N O4 S | P 1 21/n 1 | 8.086; 5.5939; 38.073 90; 94.504; 90 | 1716.8 | Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science, 2024, 15, 2827-2832 |
| 1570769 | CIF | C130 H148 Cl4 Cu4 N16 | I 41 | 10.8836; 10.8836; 47.541 90; 90; 90 | 5631.4 | Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G. Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy. Chemical science, 2024, 15, 2380-2390 |
| 1570770 | CIF | C21 H26 N2 O4 Si | P 21 21 21 | 9.9467; 10.7574; 19.8365 90; 90; 90 | 2122.52 | Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science, 2024, 15, 2648-2654 |
| 1570771 | CIF | C19 H26 N2 O3 Si | C 1 c 1 | 15.3631; 11.8472; 22.4626 90; 90.492; 90 | 4088.3 | Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science, 2024, 15, 2648-2654 |
| 1570772 | CIF | C32 H13 B F15 N O | P 1 21/c 1 | 13.0639; 11.4369; 19.0593 90; 93.949; 90 | 2840.9 | Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science, 2024, 15, 2648-2654 |
| 1570773 | CIF | C32 H13 B F15 N O | P 1 21/c 1 | 18.4252; 8.0582; 20.1712 90; 107.799; 90 | 2851.55 | Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science, 2024, 15, 2648-2654 |
| 1570774 | CIF | C31 H11 B F15 N O | P -1 | 9.0442; 9.8687; 16.26 83.784; 80.686; 75.18 | 1381.1 | Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science, 2024, 15, 2648-2654 |
| 1570780 | CIF | Ba2 F31 K3 Zr6 | P 63 c m | 9.4435; 9.4435; 15.3288 90; 90; 120 | 1183.87 | Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters. Chemical science, 2024, 15, 2883-2888 |
| 1570781 | CIF | C78 H65 Cl F6 P5 Pd3 Sb | P 1 21/c 1 | 15.28922; 16.70934; 27.2586 90; 93.5087; 90 | 6950.78 | Jeddi, Neda; Scott, Neil W. J.; Tanner, Theo; Beaumont, Simon K.; Fairlamb, Ian J. S. Evidence for Suzuki-Miyaura cross-couplings catalyzed by ligated Pd<sub>3</sub>-clusters: from cradle to grave. Chemical science, 2024, 15, 2763-2777 |
| 1570782 | CIF | C17 H10 Br N O3 | P 1 21/c 1 | 5.4496; 20.6183; 13.2918 90; 99.854; 90 | 1471.45 | He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science, 2024, 15, 2612-2617 |
| 1570783 | CIF | C21 H15 N O3 | P 1 21/n 1 | 7.762; 12.9308; 15.9453 90; 94.829; 90 | 1594.73 | He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science, 2024, 15, 2612-2617 |
| 1570784 | CIF | C15 H12 N2 O3 | P 1 21/n 1 | 7.7369; 9.7927; 16.8291 90; 100.727; 90 | 1252.78 | He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science, 2024, 15, 2612-2617 |
| 1570785 | CIF | C22 H27 Cu F15 P | P 1 21/n 1 | 9.2818; 14.7927; 19.3153 90; 95.886; 90 | 2638.06 | Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science, 2024, 15, 2990-2995 |
| 1570786 | CIF | C22 H27 Ag F15 P | P -1 | 9.4791; 10.7301; 14.7059 90.169; 90.23; 116.097 | 1343.2 | Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science, 2024, 15, 2990-2995 |
| 1570787 | CIF | C22 H27 Au F15 P | P -1 | 10.7338; 17.1617; 17.323 112.222; 102.595; 104.552 | 2679.07 | Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science, 2024, 15, 2990-2995 |
| 1570788 | CIF | C39 H63 Nd | P 1 21/n 1 | 10.7938; 19.4422; 17.8596 90; 104.394; 90 | 3630.28 | Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. Chemical science, 2024, 15, 3003-3010 |
| 1570789 | CIF | C39 H63 La | P -1 | 10.7001; 18.4935; 19.7113 83.299; 77.365; 74.64 | 3662.9 | Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. Chemical science, 2024, 15, 3003-3010 |
| 1570790 | CIF | C136 H198 Mn4 N8 O9 P8 | P 1 21/c 1 | 10.4236; 17.9728; 17.9093 90; 90.648; 90 | 3354.94 | Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis. Chemical science, 2024, 15, 2571-2577 |
| 1570791 | CIF | C34 H49 Mn N2 O2 P2 | P 1 21 1 | 9.5026; 16.911; 21.3649 90; 100.11; 90 | 3380 | Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis. Chemical science, 2024, 15, 2571-2577 |
| 1570793 | CIF | C85 H94 B N5 | P -1 | 13.9175; 14.8192; 19.2412 89.702; 77.628; 79.792 | 3812.69 | Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring. Chemical science, 2024, 15, 3148-3154 |
| 1570794 | CIF | C36 H49 Ag N2 O | P 1 21/c 1 | 10.681; 13.7656; 22.8895 90; 93.616; 90 | 3358.75 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570795 | CIF | C33.5 H39 Ag N2 | P -1 | 10.1212; 11.216; 14.9017 109.269; 90.061; 109.016 | 1498.5 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570796 | CIF | C30 H37 Ag N2 | P b c a | 15.7456; 16.8545; 19.8172 90; 90; 90 | 5259.2 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570797 | CIF | C22 H29 Ag N2 | P 1 21/n 1 | 17.3928; 14.3855; 17.9551 90; 112.995; 90 | 4135.5 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570798 | CIF | C33 H53 Ag N2 O4 Si | P 1 21/n 1 | 11.1099; 16.5691; 19.2966 90; 104.487; 90 | 3439.2 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570799 | CIF | C33 H51 Ag N2 O4 Si | P 1 21/n 1 | 11.1581; 16.6129; 19.1762 90; 104.952; 90 | 3434.31 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570800 | CIF | C27 H44 Ag N3 Si2 | F d d 2 | 20.852; 44.031; 13.785 90; 90; 90 | 12656 | Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science, 2024, 15, 3028-3032 |
| 1570801 | CIF | C26 H38 O6 | P 1 | 9.061; 11.978; 12.657 107.62; 110.74; 93.69 | 1202 | Yan, Dexiu; Matsuda, Yudai Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids. Chemical science, 2024, 15, 3011-3017 |
| 1570802 | CIF | C18 H11 N O | C 1 2/c 1 | 21.6821; 5.327; 22.9919 90; 114.126; 90 | 2423.6 | Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y. Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells. Chemical science, 2024, 15, 2778-2785 |
| 1570803 | CIF | C18 H11 N S | P n a 21 | 15.7172; 5.2891; 31.0413 90; 90; 90 | 2580.46 | Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y. Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells. Chemical science, 2024, 15, 2778-2785 |
| 1570804 | CIF | C17 H11 N3 O3 | P 1 21 1 | 3.9819; 14.7672; 11.4435 90; 94.161; 90 | 671.12 | Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science, 2024, 15, 3290-3299 |
| 1570805 | CIF | C18 H15 N3 O6 S | P -1 | 9.1825; 9.2868; 10.5049 91.395; 104.674; 99.577 | 852.44 | Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science, 2024, 15, 3290-3299 |
| 1570806 | CIF | C34 H24 N6 O8 Zn | P -1 | 7.4257; 13.6826; 15.0095 80.434; 78.161; 81.361 | 1461.12 | Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science, 2024, 15, 3290-3299 |
| 1570807 | CIF | C34 H22 Co N6 O7 | P -1 | 10.3354; 10.6777; 13.1615 97.249; 95.452; 92.065 | 1432.66 | Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science, 2024, 15, 3290-3299 |
| 1570808 | CIF | C16 H11 N3 O2 | P 1 21/n 1 | 6.963; 12.2129; 15.0009 90; 98.316; 90 | 1262.24 | Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science, 2024, 15, 3290-3299 |
| 1570812 | CIF | C4 H12 Br5 F26 N | P 21 3 | 13.389; 13.389; 13.389 90; 90; 90 | 2400.2 | Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian [Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules. Chemical science, 2024, 15, 3273-3278 |
| 1570813 | CIF | C50 H51 B F15 K N O4 | I 1 2/a 1 | 23.8532; 21.0638; 21.3167 90; 97.97; 90 | 10606.9 | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science, 2024, 15, 3165-3173 |
| 1570814 | CIF | C42 H32 B F15 N2 O2 | C 1 c 1 | 11.4874; 20.6397; 15.6705 90; 92.13; 90 | 3712.85 | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science, 2024, 15, 3165-3173 |
| 1570815 | CIF | C46 H36 B F15 N2 O2 | P 1 21/n 1 | 12.0583; 16.6138; 21.2222 90; 96.569; 90 | 4223.62 | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science, 2024, 15, 3165-3173 |
| 1570816 | CIF | C43 H37 B Cl2 F15 N O2 | C 1 2/c 1 | 32.364; 11.022; 23.039 90; 93.043; 90 | 8207 | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science, 2024, 15, 3165-3173 |
| 1570817 | CIF | C12 H36 Ga3 Ho | I 41/a :2 | 17.6111; 17.6111; 26.4443 90; 90; 90 | 8201.7 | Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science, 2024, 15, 3562-3570 |
| 1570818 | CIF | C12 H36 Dy Ga3 | C 1 2/c 1 | 10.8711; 15.7025; 12.4891 90; 102.07; 90 | 2084.8 | Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science, 2024, 15, 3562-3570 |
| 1570819 | CIF | C35 H58 Al B Ho N7 | P -1 | 11.8446; 12.0811; 15.8693 81.388; 80.802; 66.125 | 2040.7 | Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science, 2024, 15, 3562-3570 |
| 1570820 | CIF | C55 H91 B N9 O3 Y | P 1 21 1 | 11.4785; 17.511; 14.619 90; 105.928; 90 | 2825.6 | Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science, 2024, 15, 3562-3570 |
| 1570821 | CIF | C44 H69 B Ho N7 | P -1 | 10.767; 12.621; 17.188 77.029; 81.681; 88.061 | 2252.1 | Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science, 2024, 15, 3562-3570 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!