Crystallography Open Database

Result: there are 349 entries in the selection

Switch to the old layout of the page

Download 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 'Chemical Science' volume of publication is 8

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 7 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1545515 CIFC16 H16 I2P 1 c 18.4867; 11.5788; 16.5698
90; 92.762; 90
1626.35Janhsen, B.; Daniliuc, C. G.; Studer, A.
Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems
Chem. Sci., 2017, 8, 3547
1545516 CIFC16 H14 I2P 1 21/c 111.4988; 15.9491; 8.2449
90; 97.906; 90
1497.71Janhsen, B.; Daniliuc, C. G.; Studer, A.
Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems
Chem. Sci., 2017, 8, 3547
1545517 CIFC66 H62 N7 O7 SP -110.2417; 17.4702; 18.1698
117.24; 90.58; 92.649
2885.6Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose
Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction
Chem. Sci., 2017, 8, 3775
1545518 CIFC52 H54 N2 O5P 21 21 2110.807; 27; 28.2406
90; 90; 90
8240.3Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
1545519 CIFC20 H18 Cu F6 N10 O8 S2P -17.3568; 10.0126; 10.8607
110.106; 95.309; 106.922
702.02Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
1545520 CIFC19 H13 Cl F3 N5 O2P 21 21 2110.7343; 12.0336; 28.9712
90; 90; 90
3742.28Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu
Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide
Chem. Sci., 2017, 8, 3260
1545527 CIFC40 H58 N2 Na O7 P3P 21 21 2113.7779; 14.7189; 21.2291
90; 90; 90
4305.2Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545528 CIFC45 H38 B F15 N2 O P2P 1 21/n 114.0829; 20.6872; 15.9795
90; 99.559; 90
4590.8Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545529 CIFC27 H41 B N2 O P2P n m a12.9335; 20.866; 10.2861
90; 90; 90
2775.9Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545530 CIFC218 H276 N4 Na2 O6 P6P -114.6157; 18.3339; 23.554
85.401; 81.374; 78.671
6110.2Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545531 CIFC38 H53 N3 O P2P n m a21.5089; 17.8123; 9.2449
90; 90; 90
3541.9Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545532 CIFC70 H99 N5 Na2 O11 P6P 1 21/c 127.6426; 11.7291; 24.5253
90; 103.246; 90
7740.1Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
Chem. Sci., 2017, 8, 3720
1545533 CIFC56.5 H55.25 N8 O17.25P -17.472; 20.571; 24.604
69.4; 84.5; 85.66
3520.1Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545534 CIFC172 H112 Ca2 N32 O111 S8C 1 2/c 134.1155; 45.9981; 33.3135
90; 109.407; 90
49307Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545535 CIFC103 H97 N16 O38.5P 1 21/n 128.255; 51.842; 30.331
90; 110.957; 90
41490Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545536 CIFC205.5 H135.5 Ca6.25 N32 O82.5P b c a34.859; 29.286; 51.432
90; 90; 90
52506Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
Chem. Sci., 2017, 8, 3741
1545543 CIFC29 H50 Cl2 N2 O12 Pd3C 1 2/c 125.3774; 8.3627; 19.7264
90; 116.32; 90
3752.41He, Chuan; Gaunt, Matthew J.
Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines
Chem. Sci., 2017, 8, 3586
1545549 CIFC61 H48 N8 S9 U2P 21 21 2128.579; 28.912; 33.323
90; 90; 90
27534Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545550 CIFC100 H112 N8 O2 S2 U2C 1 2/c 117.3745; 34.224; 17.013
90; 112.037; 90
9377.3Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545551 CIFC101 H105 N8 O2 S U2P -115.9605; 16.6905; 18.0699
67.132; 86.551; 82.45
4396.61Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545552 CIFC106 H130 B K N8 O5 U2P n m a29.6933; 29.9161; 10.8656
90; 90; 90
9652Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545553 CIFC110 H138 B N8 Na O6 U2C 1 2/c 115.5798; 33.7862; 20.7334
90; 105.543; 90
10514.6Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Chem. Sci., 2017, 8, 3609
1545595 CIFC39 H51 O3 PP -110.8957; 13.0496; 13.9607
101.403; 109.481; 104.921
1718.4Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario
Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers
Chem. Sci., 2017, 8, 3913
1545596 CIFC39 H51 O3 PP 1 21/c 110.2109; 18.659; 35.308
90; 94.153; 90
6709.4Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario
Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers
Chem. Sci., 2017, 8, 3913
1545631 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.2308; 12.6838; 13.0436
83.137; 68.061; 70.096
1764.77Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545632 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.4864; 12.4925; 13.6444
65.751; 82.594; 69.191
1813.6Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545633 CIFC35 H26 F3 Fe I2 N4 O6 SP -112.43; 12.336; 13.183
111.83; 99.23; 66.05
1714.8Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545634 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.4632; 12.6561; 13.365
83.298; 67.3; 69.644
1823Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545635 CIFC35 H23 F3 Fe I2 N5 O5 SP -112.0127; 12.6193; 13.2123
110.546; 92.31; 111.271
1715.2Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545636 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.476; 13.0698; 13.4649
71.342; 87.437; 68.674
1776.5Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545637 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.5003; 13.1342; 13.5498
71.652; 87.488; 68.858
1806.23Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545638 CIFC35 H26 F3 Fe I2 N4 O6 SP -111.5289; 13.1814; 13.6233
71.947; 87.644; 68.871
1830.2Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545639 CIFC36 H28 F3 Fe I2 N4 O6 SP -112.232; 12.547; 13.279
81.89; 67.04; 68.25
1742.9Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545640 CIFC36 H26 F3 Fe I2 N4 O6 SP -110.3759; 12.8053; 13.8091
79.08; 76.267; 86.609
1749.85Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545641 CIFC36 H26 F3 Fe I2 N4 O6 SP -110.3585; 12.9759; 14.1074
78.558; 76.606; 86.265
1807.59Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.
Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis
Chem. Sci., 2017, 8, 3949
1545678 CIFC32 H38 Cs K2 O6P -19.8938; 13.3712; 15.521
64.492; 78.484; 71.755
1755Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.
Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts
Chem. Sci., 2017, 8, 3137
1545989 CIFC61 H76 N2 O12P 1 21/n 112.9848; 19.382; 22.2953
90; 99.8421; 90
5528.5Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.
Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle
Chem. Sci., 2017, 8, 3898
1545990 CIFC61 H71 N3 O10P b c a17.819; 17.457; 34.337
90; 90; 90
10681Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.
Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle
Chem. Sci., 2017, 8, 3898
1546842 CIFC24 H20 N2 O6P n a 2128.9068; 7.9025; 8.9889
90; 90; 90
2053.39Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme
Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes
Chemical Science, 2017, 8, 7112-7118
1547319 CIFC30 H49 N5 O6P 1 21 18.3072; 7.8052; 25.7246
90; 97.491; 90
1653.7Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris
Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif
Chemical Science, 2017, 8, 3971-3979
1553643 CIFC27 H33 B2 F11 Fe N6F -4 3 c29.3374; 29.3374; 29.3374
90; 90; 90
25250.2Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553644 CIFC26 H31.5 B2 F10 Fe N6.5P -111.4603; 14.9231; 18.6992
110.254; 106.434; 91.133
2853Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553645 CIFC25 H30 B2 F10 N6 ZnP 1 c 113.6092; 14.5112; 14.1222
90; 90.875; 90
2788.61Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553646 CIFC24 H27 B2 F11 Fe N6P 316.8376; 16.8376; 7.8829
90; 90; 120
1935.43Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553647 CIFC27 H33 B2 F11 N6 ZnF -4 3 c29.282; 29.282; 29.282
90; 90; 90
25107.4Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David
Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.
Chemical science, 2017, 8, 2448-2456
1553648 CIFC8 H8 F6 N4 Ni Si Xe0.34P 4/m m m7.0187; 7.0187; 7.5098
90; 90; 90
369.95Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553649 CIFC8 H8 F6 N4 Ni SiP 4/m m m7.00122; 7.00122; 7.49794
90; 90; 90
367.527Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553650 CIFC8 H8 F6 N4 Ni SiP 4/m m m6.99732; 6.99732; 7.49177
90; 90; 90
366.816Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380
1553651 CIFC8 H8 F6 Fe N4 O SiP 4/m m m7.1831; 7.1831; 7.5839
90; 90; 90
391.31Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.
Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.
Chemical science, 2017, 8, 2373-2380

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 7 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!