Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 4
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1514378 | CIF | C55 H42 B F22 N P2 Pt | P 1 21/n 1 | 15.6555; 18.868; 18.2423 90; 98.761; 90 | 5325.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514379 | CIF | C54 H39 B F23 N P2 Pt | P 1 21/c 1 | 15.495; 18.673; 22.444 90; 125.955; 90 | 5256.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514380 | CIF | C25 H35 B11 Cl12 F2 N P2 Pt | P 1 21/c 1 | 19.446; 15.82; 15.256 90; 107.781; 90 | 4469 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514381 | CIF | C30 H22 B F2 N5 | P -1 | 11.9663; 12.5933; 19.2781 76.089; 85.2516; 62.9902 | 2511.2 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514382 | CIF | C30.5 H24 B Cl F2 N4 | C 1 2/c 1 | 33.428; 11.5134; 13.9925 90; 111.419; 90 | 5013.4 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514383 | CIF | C32 H27 B F2 N4 | P -1 | 12.0332; 14.8026; 15.5572 89.0111; 83.545; 72.8575 | 2630.8 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514384 | CIF | C40 H43 B F2 N4 | P -1 | 10.7533; 13.3999; 24.5025 91.7881; 95.0164; 100.258 | 3457 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514385 | CIF | C36 H35 B F2 N4 | P 1 21/n 1 | 15.7903; 11.9086; 15.8933 90; 94.469; 90 | 2979.5 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514386 | CIF | C28.5 H18 B Cl3 F2 N4 | I 1 2/a 1 | 14.0731; 11.5359; 31.2056 90; 93.7226; 90 | 5055.41 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514392 | CIF | C42 H56 Cl N O5 | P 1 21/c 1 | 11.4992; 24.3436; 15.0944 90; 112.268; 90 | 3910.3 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514393 | CIF | C16 H20 Cl N O | P 21 21 21 | 5.1885; 14.53; 19.501 90; 90; 90 | 1470.2 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514394 | CIF | C24 H18 Cl N O4 | P 21 21 21 | 7.8652; 13.56; 19.207 90; 90; 90 | 2048.5 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514395 | CIF | C51 H33 N7 O20 Zn3 | P -3 1 c | 16.49; 16.49; 14.05 90; 90; 120 | 3308.6 | Park, Hye Jeong; Suh, Myunghyun Paik Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions Chemical Science, 2013, 4, 685 |
1514396 | CIF | C84 H90 N2 Pt | P 1 21/c 1 | 19.1854; 19.6691; 24.6274 90; 108.482; 90 | 8814.1 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514397 | CIF | C102.5 H113 Cl N2 Pt | P -1 | 12.0941; 15.39; 25.2421 101.259; 98.6734; 111.101 | 4171.5 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514399 | CIF | C12 H20 O6 | P 1 21/c 1 | 6.0689; 11.699; 19.4385 90; 98.695; 90 | 1364.3 | Ley, David; Gerbig, Dennis; Schreiner, Peter R. Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene Chemical Science, 2013, 4, 677 |
1514400 | CIF | C48 F40 N4 U | C 1 2/c 1 | 23.5319; 12.9011; 16.0719 90; 106.846; 90 | 4669.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514401 | CIF | C48 H20 F20 N4 U | C 1 2/c 1 | 38.651; 12.3736; 19.957 90; 99.992; 90 | 9399.7 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514402 | CIF | C44 H16 F30 N3 O2 U | P -1 | 11.0728; 11.7379; 20.3378 79.419; 80.189; 84.54 | 2554.81 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514403 | CIF | C88.5 H66 F18 N3 O2 P2 U | P -1 | 13.4814; 16.1925; 19.0979 76.559; 87.948; 84.674 | 4036.9 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514404 | CIF | C14 H9 F6 N | P c a 21 | 10.0174; 15.9406; 7.9776 90; 90; 90 | 1273.89 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514405 | CIF | C26 H32 F6 K N O3 | P -1 | 10.8866; 11.9211; 12.8559 111.365; 100.052; 109.196 | 1382.79 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514406 | CIF | C16 H10 F10 K N O | P -1 | 8.4008; 10.5747; 11.1333 77.131; 69.962; 75.663 | 889.84 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514407 | CIF | C66 H42 F25 K N6 U | P 1 21/c 1 | 24.2328; 12.7508; 24.1585 90; 109.123; 90 | 7052.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514408 | CIF | C34 H18 Ir0.11 N4 O8 Zn2 | P -1 | 14.0368; 15.1189; 15.1242 85.358; 85.555; 86.35 | 3184.2 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514409 | CIF | C26 H8 N10 O8 Rh Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514410 | CIF | C36 H21 N4 O8 Rh0.15 Zn2 | P -1 | 14.0869; 15.1333; 15.1402 86.517; 87.286; 86.896 | 3213.8 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514411 | CIF | C24 H8 Ir0.29 N6 O8 Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514412 | CIF | C25 H23 P Si | P -1 | 11.2823; 16.8988; 22.9869 81.236; 79.739; 81.615 | 4230.32 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514413 | CIF | C50 H70 Li2 N2 P2 Si4 | C 1 c 1 | 18.8666; 22.2888; 25.4992 90; 100.652; 90 | 10538 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514414 | CIF | C64 H86 Ca N2 P2 Si4 | C 1 2/c 1 | 30.6079; 12.39475; 22.0579 90; 128.948; 90 | 6508.1 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514415 | CIF | C31 H52 N2 P Si4 Y | P 1 21/c 1 | 11.1459; 20.7732; 16.6276 90; 100.782; 90 | 3781.92 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514416 | CIF | C159 H60 I2 N2 O20 | P -1 | 11.569; 12.623; 20.413 97.57; 102.49; 113.57 | 2587.1 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514417 | CIF | C71 H17 Cl6 N O8 | P -1 | 14.3061; 14.457; 15.4664 76.592; 66.58; 61.681 | 2580.3 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514418 | CIF | C65 H5 N O5 | P 1 2/c 1 | 18.742; 13.442; 18.553 90; 114.4; 90 | 4256.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514419 | CIF | C67 H6 Cl6 I N O5 | P -1 | 12.754; 12.843; 14.63 78.32; 82.27; 68.22 | 2174.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514420 | CIF | C68 H9 N O7 | P 1 2/c 1 | 19.163; 13.468; 18.553 90; 114.32; 90 | 4363 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514421 | CIF | C80 H114 N8 O8 S4 Yb2 | P 1 21/n 1 | 11.3252; 14.7748; 24.3057 90; 90.686; 90 | 4066.7 | Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies Chemical Science, 2013, 4, 747 |
1514422 | CIF | C36 H40 Co K O4 | P 1 21/c 1 | 15.4085; 20.2602; 21.0264 90; 102.87; 90 | 6399.1 | Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel Highly chemoselective cobalt-catalyzed biaryl coupling reactions Chemical Science, 2013, 4, 776 |
1514423 | CIF | C136 Cl16 Dy2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.3062; 47.6192; 15.6327 90; 108.576; 90 | 10800.6 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514424 | CIF | C136 Cl16 Gd2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.2981; 47.7123; 15.6288 90; 108.609; 90 | 10811.2 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514425 | CIF | C32 H41 Au Cl2 N2 O2 | P 1 21/n 1 | 12.2769; 12.2829; 22.2697 90; 91.868; 90 | 3356.4 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514426 | CIF | C35 H46 Au Cl2 N3 O | P 1 21/n 1 | 10.2357; 12.3159; 28.5345 90; 96.224; 90 | 3575.91 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514427 | CIF | C36.25 H47.5 Au Cl F3 N3 O4 S | P 41 | 27.6; 27.6; 21.2131 90; 90; 90 | 16159.3 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514428 | CIF | C66 H74 F6 N6 O10 P2 | P -1 | 14.9639; 16.2074; 16.6904 68.074; 65.602; 86.227 | 3400.9 | Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong Phosphine oxide functional group based three-station molecular shuttle Chemical Science, 2013, 4, 1701 |
1514430 | CIF | C66 H111 Cu3 N19 O35 | I 4/m | 30.926; 30.926; 45.103 90; 90; 90 | 43137 | Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science, 2013, 4, 1731 |
1514431 | CIF | C62 H44 Br4 N8 O7 | P b c a | 19.744; 19.587; 32.31 90; 90; 90 | 12495 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514432 | CIF | C46 H48 F24 N8 O2 P4 | C 1 2/c 1 | 22.03; 27.145; 10.285 90; 116.38; 90 | 5510 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514433 | CIF | C11 H16 Co N6 O3 | I 41/a :2 | 17.243; 17.243; 20.157 90; 90; 90 | 5993 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514434 | CIF | C9 H15 Co N5 O3 | I 41/a :2 | 15.7869; 15.7869; 22.328 90; 90; 90 | 5564.7 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514435 | CIF | C10 H14 Co N5 O2.5 | I 41/a :2 | 15.852; 15.852; 22.346 90; 90; 90 | 5615 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514436 | CIF | C37 H58 Mg N2 O | P -1 | 9.1792; 12.119; 15.8077 85.527; 77.912; 87.404 | 1713.51 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514437 | CIF | C38 H59 Mg N3 | P 1 21/n 1 | 9.0121; 20.1333; 19.8758 90; 91.504; 90 | 3605.09 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514438 | CIF | C40 H53 Mg N3 O2 | R 3 m :H | 32.394; 32.394; 11.017 90; 90; 120 | 10012 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514439 | CIF | C78 H104 Mg2 N6 S2 | P 1 21/n 1 | 13.5757; 14.4034; 18.932 90; 92.2137; 90 | 3699.1 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514440 | CIF | C48 H60 Mg N4 O1.25 S2 | P 1 21/n 1 | 18.964; 12.505; 38.624 90; 96.385; 90 | 9103 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514441 | CIF | C80 H110 Mg2 N8 | P 1 21/n 1 | 12.703; 21.654; 13.282 90; 90.01; 90 | 3653.5 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514442 | CIF | C42.5 H61.5 Mg N4 | P 1 21/n 1 | 14.0179; 13.5976; 21.7756 90; 96.842; 90 | 4121.08 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514443 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.36; 29.36; 20.776 90; 90; 120 | 15510 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514444 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.87; 29.87; 12.0337 90; 90; 120 | 9298 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514445 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.884; 29.884; 11.8868 90; 90; 120 | 9193 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514446 | CIF | C82 H83 N6 Ni3 O23 | R -3 c :H | 29.347; 29.347; 21.287 90; 90; 120 | 15877 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514447 | CIF | C90 H115 N6 Ni3 O31 | R -3 c :H | 29.368; 29.368; 20.868 90; 90; 120 | 15586.9 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514448 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.05; 29.05; 24.502 90; 90; 120 | 17907 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514449 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.106; 29.106; 23.417 90; 90; 120 | 17180 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514450 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.151; 29.151; 23.07 90; 90; 120 | 16978 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514451 | CIF | C109.5 H80.5 N13.5 Ni3 O13 | R -3 c :H | 28.548; 28.548; 26.592 90; 90; 120 | 18769 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514452 | CIF | C57 H34 Co3 N3 O13 | R -3 c :H | 19.4312; 19.4312; 45.631 90; 90; 120 | 14920.7 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514453 | CIF | C29 H30 O3 Si | P c a 21 | 25.2196; 11.8584; 8.5478 90; 90; 90 | 2556.34 | Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science, 2013, 4, 1547 |
1514454 | CIF | C18 H32 Cl3 Gd N4 O10 | P -1 | 8.8714; 11.147; 14.5317 102.922; 93.887; 91.677 | 1395.96 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514455 | CIF | C19 H24 Er N7 O14 | P 1 21/c 1 | 13.0075; 14.8207; 13.9166 90; 102.653; 90 | 2617.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514456 | CIF | C9 H12 N5 O12 Y | P -1 | 7.4349; 10.63; 11.657 68.02; 88.31; 87.44 | 853.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514457 | CIF | C18 H32 Cl3 N4 O10 Tb | P -1 | 8.849; 11.157; 14.564 103.13; 93.56; 91.72 | 1396.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514458 | CIF | C18 H32 Cl3 Dy N4 O10 | P -1 | 8.846; 11.148; 14.527 102.85; 93.52; 91.86 | 1392.5 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514459 | CIF | C18 H32 Cl3 Ho N4 O10 | P -1 | 8.87; 11.12; 14.439 102.36; 93.95; 91.96 | 1386.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514460 | CIF | C18 H32 Cl3 Er N4 O10 | P -1 | 8.8067; 11.1745; 14.5412 103.075; 93.297; 91.942 | 1389.98 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514461 | CIF | C18 H32 Cl3 N4 O10 Y | P -1 | 8.819; 11.149; 14.491 102.91; 93.47; 91.88 | 1384.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514462 | CIF | C19 H24 N7 O14 Tb | P 1 21/c 1 | 13.0909; 14.851; 13.916 90; 102.875; 90 | 2637.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514463 | CIF | C19 H24 Dy N7 O14 | P 1 21/c 1 | 13.09; 14.792; 13.965 90; 102.88; 90 | 2636 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514464 | CIF | C19 H24 Ho N7 O14 | P 1 21/c 1 | 13.0407; 14.8401; 13.9335 90; 102.721; 90 | 2630.3 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514465 | CIF | C10 H24 Br2 Ni P2 | P 1 21/c 1 | 8.707; 13.3165; 13.7802 90; 100.665; 90 | 1570.17 | Bryan, Zachary J.; McNeil, Anne J. Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations Chemical Science, 2013, 4, 1620 |
1514466 | CIF | C22 H24 Cl2 N2 O Os S | P 1 21/c 1 | 14.4797; 11.9305; 13.1126 90; 98.591; 90 | 2239.8 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514467 | CIF | C25 H29 Cl2 F N2 O Ru S | P 1 21/n 1 | 14.0346; 8.6278; 22.7026 90; 90.353; 90 | 2749 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514468 | CIF | C108 H116 Br6 Co4 N11 O16 | P 21 21 21 | 12.6611; 19.0777; 47.5848 90; 90; 90 | 11493.8 | Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier Chemical Science, 2013, 4, 1802 |
1514469 | CIF | C132 H136 B8 Cl28 Fe4 N32 O36 Re4 | P -1 | 16.163; 20.152; 20.252 93.07; 90.55; 110.44 | 6169 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514470 | CIF | C42 H48 B2 Fe N8 O6 | C 1 2/c 1 | 23.705; 9.3657; 20.454 90; 118.68; 90 | 3983.9 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514471 | CIF | C56 H70 B4 Cl10 Fe2 N14 O12 | P -1 | 10.235; 10.862; 16.008 97.163; 98.93; 93.02 | 1739.6 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514472 | CIF | C56 H48 B2 Fe N8 O14 Zn2 | C 1 2/m 1 | 24.166; 18.52; 21.805 90; 105.6; 90 | 9399 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514473 | CIF | C7 H5 Cu2 I N4 S | I a -3 d | 41.856; 41.856; 41.856 90; 90; 90 | 73329 | Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science, 2013, 4, 1484 |
1514474 | CIF | C15 H18 O6 | C 1 2/c 1 | 13.7664; 9.367; 10.8858 90; 99.268; 90 | 1385.4 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514475 | CIF | C19 H32 O7 | P 1 21/c 1 | 9.1857; 10.7306; 17.807 90; 94.071; 90 | 1750.8 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514476 | CIF | C31 H28 Cl0 Co F12 N6 P2 | P -1 | 11.462; 12.501; 13.164 109.79; 108.38; 90.82 | 1668.73 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514477 | CIF | C53 H45 B Co N5 | P -1 | 10.9829; 13.7142; 17.0064 102.458; 107.971; 101.25 | 2282.8 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514478 | CIF | C33 H28 Cl0 Co F6 N5 O8 S2 | P -1 | 11.94; 12.822; 15.328 65.696; 78.915; 66.557 | 1960.99 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514479 | CIF | C144 H130 B4 Co4 F40 N30 O24 S8 | C 1 c 1 | 17.791; 16.341; 27.415 90; 97.47; 90 | 7902.52 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514480 | CIF | C55 H68 B4 F16 N16 O4 | P 1 21/n 1 | 15.7015; 12.8679; 18.0196 90; 105.064; 90 | 3515.66 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514481 | CIF | C54 H64 B F4 N16 O7 P2 | P 1 21/c 1 | 19.726; 15.697; 22.564 90; 101.404; 90 | 6849 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514482 | CIF | C162 H200 B8 F32 N48 O16 P4 | P 1 21/n 1 | 20.554; 16.552; 31.568 90; 93.445; 90 | 10720 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514483 | CIF | C57 H74 Cl4 Cu2 N4 S2 | C 2 2 21 | 14.073; 21.02; 19.083 90; 90; 90 | 5645 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514484 | CIF | C58 H76 Cl4 Cu2 N4 S2 | C 1 2/c 1 | 52.089; 8.9421; 35.545 90; 129.297; 90 | 12813 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514485 | CIF | C35 H43 Cl2 Cu N2 S | P 1 21/c 1 | 9.26; 24.43; 15.506 90; 100.133; 90 | 3453 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514486 | CIF | C18 H18 Cl D2 N3 O2 | P b c a | 18.9604; 9.3522; 19.2687 90; 90; 90 | 3416.8 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514487 | CIF | C19 H20 Cl D2 N3 O2 | P b c a | 19.2697; 9.5129; 19.6896 90; 90; 90 | 3609.3 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514488 | CIF | C18 H17 Cl D2 F N3 O2 | P b c a | 18.8845; 9.4266; 19.2915 90; 90; 90 | 3434.2 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514489 | CIF | C35 H48 Cl2 Fe N O2 | P 1 21/n 1 | 10.1903; 12.5783; 27.2498 90; 96.4952; 90 | 3470.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514490 | CIF | C40 H76 Fe N3 O2 Si4 | P 1 21/c 1 | 11.9269; 17.5744; 24.1583 90; 111.583; 90 | 4708.7 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514491 | CIF | C75.5 H98 Cl8 Fe2 N2 O8 | P -1 | 14.8709; 15.747; 17.9214 94.0663; 111.428; 95.5142 | 3863 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514492 | CIF | C43 H55 Cl4 Fe N2 O5 | P 1 21/n 1 | 12.6068; 24.431; 16.6177 90; 111.803; 90 | 4752.1 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514493 | CIF | C66 H90 Fe2 N4 O4 | P 1 21/c 1 | 14.1943; 14.2798; 17.1104 90; 113.995; 90 | 3168.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514494 | CIF | C45 H58 Fe N5 O2 | P 1 21 1 | 14.0101; 15.7187; 19.934 90; 97.6912; 90 | 4350.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514495 | CIF | C26 H27 Cu3 N8 O0 | P -1 | 11.4287; 11.7031; 12.918 64.005; 89.783; 71.129 | 1450.1 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514496 | CIF | C20 H21 Cu3 N8 O0 | P -1 | 11.4262; 11.4509; 12.5243 66.62; 89.182; 69.908 | 1398.37 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514497 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.4964; 11.3571; 12.9352 115.386; 91.133; 69.305 | 1409.92 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514498 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.5152; 11.312; 12.6953 114.171; 91.497; 68.347 | 1386.93 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514499 | CIF | C24 H29 Cu3 N8 O2 | P -1 | 11.4723; 11.4569; 13.1199 64.295; 89.824; 110.147 | 1434.83 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514500 | CIF | C26 H33 Cu3 N8 | P -1 | 11.4507; 11.6026; 13.2025 65.36; 71.368; 71.461 | 1475.62 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514501 | CIF | C22 H24 Cu3 N9 O | P -1 | 11.37; 11.4274; 12.1912 67.952; 87.743; 69.803 | 1370.45 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514505 | CIF | C42 H44 F6 Ir N2 O2 P2 | P 63 | 19.437; 19.437; 18.1371 90; 90; 120 | 5934.13 | Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines Chemical Science, 2013, 4, 2760 |
1514506 | CIF | C26 H19 Br N2 O2 S | P 21 21 21 | 8.6182; 12.4254; 20.8694 90; 90; 90 | 2234.79 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514507 | CIF | C27 H19 N3 | P 1 21/c 1 | 12.6892; 9.9361; 16.3936 90; 102.515; 90 | 2017.81 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514508 | CIF | C72 H2 Cl16 | P -1 | 11.049; 13.43; 18.364 105.567; 91.091; 106.254 | 2507 | Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography Chemical Science, 2013, 4, 2967 |
1514509 | CIF | C368 H360 B16 Co8 F64 N72 O40 | C 1 2/c 1 | 27.658; 39.485; 42.581 90; 106.741; 90 | 44531 | Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D. Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts Chemical Science, 2013, 4, 2744 |
1514511 | CIF | C28 H40 O6 | P 21 21 21 | 11.3881; 13.7611; 15.9461 90; 90; 90 | 2499 | Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl Withanolide A: synthesis and structural requirements for neurite outgrowth Chemical Science, 2013, 4, 2851 |
1514519 | CIF | C62 H135 Mn Mo6 N6 O26 | P c c a | 23.3192; 28.2; 30.215 90; 90; 90 | 19869 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514520 | CIF | C94 H152 Mn Mo6 N9 O26 | P -1 | 18.0136; 26.3164; 26.5199 113.089; 102.13; 100.729 | 10790.7 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514521 | CIF | C80 H153 Mn Mo6 N8 O28 | P 1 21/c 1 | 27.455; 29.007; 24.974 90; 94.45; 90 | 19829 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514522 | CIF | C80 H155 Mn Mo6 N8 O29 | P n m a | 28.257; 21.8128; 16.5796 90; 90; 90 | 10219.1 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514523 | CIF | C19 H25 N O4 | P 1 21 1 | 8.3357; 11.294; 9.9646 90; 103.551; 90 | 912 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514524 | CIF | C19 H23 N O4 | P 1 21 1 | 7.3372; 22.647; 20.618 90; 90.112; 90 | 3426 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514525 | CIF | C13 H19 N O3 | P 1 21 1 | 9.0939; 30.695; 9.139 90; 94.405; 90 | 2543.5 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514526 | CIF | C17 H17 Cl3 N2 O3 | P -1 | 9.7614; 10.2988; 10.4722 80.745; 71.023; 89.009 | 981.91 | Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones Chemical Science, 2013, 4, 3912 |
1514527 | CIF | C35 H61 B11 Br6 F P Ru Si | P -1 | 11.8239; 14.7954; 15.4075 99.322; 110.839; 91.577 | 2475.17 | Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation Chemical Science, 2013, 4, 3882 |
1514528 | CIF | C30.5 H23.25 Co F6 N5.75 O6 S2 | P -1 | 9.8107; 12.2952; 13.4212 93.235; 91.814; 91.35 | 1615.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514529 | CIF | C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 | P 1 21/n 1 | 11.605; 26.456; 12.584 90; 114.443; 90 | 3517.3 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514530 | CIF | C33 H27 Cu F6 N7 O6 S2 | P -1 | 9.9247; 13.1783; 14.849 66.577; 80.638; 81.873 | 1752.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514531 | CIF | C31 H24 F6 N6 O6 S2 Zn | P -1 | 9.829; 12.2969; 13.4196 92.874; 91.805; 91.232 | 1618.7 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514532 | CIF | C32 H23 Co F9 N6 O6 S2 | P -1 | 10.1178; 10.1848; 18.5692 93.06; 101.838; 106.548 | 1782.45 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514533 | CIF | C27 H23 Br2 N O6 | P 21 21 21 | 6.939; 18.9; 19.529 90; 90; 90 | 2561 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514534 | CIF | C16 H25 N O6 | P 1 21/c 1 | 9.8524; 15.9675; 10.5673 90; 92.813; 90 | 1660.43 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514535 | CIF | C37 H60 O6 | P 21 21 21 | 10.4149; 13.7246; 24.603 90; 90; 90 | 3516.8 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514536 | CIF | C38 H62 O9 | P 1 | 8.7254; 9.5176; 12.415 89.65; 80.46; 70.65 | 958 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514537 | CIF | C41 H71 Cl O5 Si | P 21 21 21 | 9.3808; 13.5353; 32.994 90; 90; 90 | 4189.3 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514538 | CIF | C34.5 H57 Cl O5 | P 1 21 1 | 11.2356; 11.9742; 24.8296 90; 93.447; 90 | 3334.46 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514539 | CIF | C43 H57 N5 Ni | P -1 | 10.911; 12.339; 15.869 103.994; 97.621; 107.921 | 1922.2 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514540 | CIF | C56 H77 N5 Ni | P 21 21 21 | 13.207; 17.694; 21.9242 90; 90; 90 | 5123.3 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514541 | CIF | C146 H136 B2 F40 N10 Ni2 | P -1 | 14.779; 15.5; 16.733 92.788; 98.247; 100.522 | 3718.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514542 | CIF | C27 H44 N4 Ni | F d d 2 | 17.8294; 42.047; 17.6823 90; 90; 90 | 13256 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514543 | CIF | C31 H49 N7 Ni | P -1 | 12.174; 26.324; 31.697 112.359; 99.666; 92.719 | 9191.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514544 | CIF | C19 H20 Cl2 O4 | P 21 21 21 | 7.8057; 10.1854; 23.4262 90; 90; 90 | 1862.5 | Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J. Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones Chemical Science, 2013, 4, 3946 |
1514549 | CIF | C24 H20 N4 O3 Pd | P -1 | 9.1886; 10.6165; 11.5601 81.563; 81.84; 72.521 | 1058.25 | Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids Chemical Science, 2013, 4, 3906 |
1514550 | CIF | C27 H32 O11 | P 1 | 9.4188; 9.7589; 15.1515 96.812; 97.849; 109.187 | 1282.95 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514551 | CIF | C45 H63 B O10 Si Sn | P -1 | 11.9576; 12.6539; 16.2477 96.233; 98.572; 100.371 | 2367.98 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514552 | CIF | C29 H40 O9 Si | P 21 21 21 | 10.7843; 14.0454; 19.3783 90; 90; 90 | 2935.23 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514553 | CIF | C118 H206 B2 Fe2 O P6 | C 1 2/c 1 | 28.3106; 21.7915; 22.8536 90; 126.572; 90 | 11323.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514554 | CIF | C124 H208 B2 Cl4 Fe2 N2 O2 P6 | P 1 21/c 1 | 22.7338; 15.5757; 17.6503 90; 110.288; 90 | 5862.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514555 | CIF | C54 H106 B2 Fe2 O P6 | P 1 21 1 | 14.199; 14.985; 14.939 90; 103.184; 90 | 3094.8 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514556 | CIF | C102 H94 B2 Fe2 O P6 | I -4 2 d | 33.2834; 33.2834; 16.7509 90; 90; 90 | 18556.4 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514557 | CIF | C67 H81 B Fe Na O7 P3 | P 31 | 13.1184; 13.1184; 31.059 90; 90; 120 | 4628.9 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514558 | CIF | C91 H82 B2 Fe2 O3 P6 | P -1 | 13.7605; 16.3419; 22.5111 96.665; 106.719; 103.489 | 4622.3 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514559 | CIF | C48 H62 O4 W | P -1 | 12.5307; 18.2485; 19.5913 91.056; 93.582; 109.527 | 4210.28 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514560 | CIF | C45 H56 O3.5 W | P -1 | 9.4199; 12.183; 17.6797 93.621; 100.409; 102.237 | 1939.34 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514561 | CIF | C50 H55 O2.5 W | P 1 21/c 1 | 9.6683; 40.736; 21.0306 90; 97.047; 90 | 8220.3 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514562 | CIF | C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 | P -1 | 11.1564; 16.8638; 17.2397 94.315; 93.4125; 108.645 | 3052.51 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514563 | CIF | C32 H24 Br2 N4 Ni | P 1 21/n 1 | 12.324; 8.833; 25.104 90; 94.105; 90 | 2725.8 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514564 | CIF | C34 H25 Eu F18 N4 O7 | P 1 21/c 1 | 12.4834; 18.5861; 20.5491 90; 117.547; 90 | 4227.24 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514565 | CIF | C69 H50 Eu2 F36 N8 O14 | P 1 21/c 1 | 21.9162; 18.3619; 24.8681 90; 122.872; 90 | 8405.1 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514566 | CIF | C119 H90.5 Eu3 F54 N18.5 O20 | P -1 | 17.6614; 19.7308; 23.4654 95.2886; 96.678; 114.691 | 7288.8 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514567 | CIF | C38 H31 F18 Lu N6 O7 | P -1 | 12.2354; 14.4044; 14.8029 77.3039; 72.1925; 68.6551 | 2296.17 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514568 | CIF | C66 H54 F30 La2 N10 O14 | P -1 | 11.6721; 15.7298; 22.3967 78.307; 87.1599; 87.3088 | 4018.88 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514569 | CIF | C23 H25 N O4 | P 1 21/c 1 | 18.485; 5.944; 18.057 90; 92.841; 90 | 1982 | Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons Chemical Science, 2013, 4, 1281 |
1514570 | CIF | C47 H53 La O2 P3 Se6 | P 42/n m c :2 | 31.601; 31.601; 10.671 90; 90; 90 | 10656 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514571 | CIF | C44 H46 Ce O2 P3 Se6 | P -1 | 9.8457; 13.0684; 19.024 88.6; 85.615; 70.493 | 2300.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514572 | CIF | C47 H53 Nd O2 P3 Se6 | P 42/n m c :2 | 31.4695; 31.4695; 10.6442 90; 90; 90 | 10541.3 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514573 | CIF | C40 H36 La N2 P3 Se6 | P 1 21/c 1 | 13.5653; 9.0111; 35.576 90; 91.945; 90 | 4346.2 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514574 | CIF | C44 H46 N0 O2 P3 Pu Se6 | P -1 | 13.344; 18.862; 20.428 79.465; 89.356; 70.12 | 4746 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514575 | CIF | C60 H68 Ce N O P4 Se8 | P 21 21 21 | 12.6878; 21.9927; 22.9089 90; 90; 90 | 6392.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514576 | CIF | C60 H68 N O P4 Pu Se8 | P 21 21 21 | 12.7053; 21.997; 22.902 90; 90; 90 | 6400.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514577 | CIF | C48 H40 P4 Se8 U | P 1 21 1 | 13.8131; 9.7933; 18.8547 90; 91.597; 90 | 2549.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514578 | CIF | C48 H40 Np P4 Se8 | P 1 21 1 | 13.8899; 9.9688; 18.862 90; 91.609; 90 | 2610.7 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514579 | CIF | C54 H78 Cl Ir N2 O2 | P 21 21 2 | 25.5236; 13.7422; 14.3634 90; 90; 90 | 5038 | Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science, 2013, 4, 1234 |
1514580 | CIF | C20 H26 Cl3 N2 Rh | P -1 | 10.499; 10.5404; 11.0455 63.986; 85.787; 69.884 | 1027.14 | Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science, 2013, 4, 1234 |
1514581 | CIF | C28 H27 N3 O3 | P 1 | 9.552; 10.569; 13.458 71.185; 76.497; 77.422 | 1235.4 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514582 | CIF | C28 H28 N2 O4 | P 21 21 21 | 11.118; 16.129; 26.837 90; 90; 90 | 4812 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514583 | CIF | C7 H18 Ca N O8 P | P 21 21 21 | 6.8101; 9.5015; 21.2601 90; 90; 90 | 1375.66 | Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity Chemical Science, 2013, 4, 983 |
1514584 | CIF | C33 H50 Au N3 | P 1 21/c 1 | 12.5384; 13.4689; 19.1735 90; 93.373; 90 | 3232.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514585 | CIF | C33 H51 Au B F4 N3 | P 21 21 21 | 12.0547; 14.2387; 20.0505 90; 90; 90 | 3441.5 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514586 | CIF | C37 H50 Au N3 O | P 1 21/n 1 | 12.5675; 19.0611; 14.9662 90; 108.971; 90 | 3390.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514587 | CIF | C36 H53 Au N4 | P 1 21/c 1 | 10.8111; 20.7615; 16.2556 90; 103.247; 90 | 3551.6 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514589 | CIF | C45 H59 Au B F4 N2 P | P 1 2/n 1 | 11.8034; 8.9229; 50.327 90; 92.992; 90 | 5293.2 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514590 | CIF | C37 H59 Au B Cl4 F4 N2 P | P -1 | 11.9915; 12.2396; 16.7165 96.555; 108.386; 105.096 | 2195.7 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514597 | CIF | C15 H19 I N4 O4 | P 1 21/n 1 | 12.572; 9.3235; 15.1484 90; 90.258; 90 | 1775.6 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514598 | CIF | C17 H15 I N4 O4 | P -1 | 7.1296; 7.4865; 17.896 87.393; 84.501; 71.105 | 899.5 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514599 | CIF | C31 H22 Cl2 F4 Ir N2 O | P 1 21/n 1 | 10.3467; 11.3394; 23.95 90; 92.079; 90 | 2808.1 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514600 | CIF | C30 H19 F4 Ir N2 O | P 1 21/n 1 | 9.7368; 16.1179; 15.8357 90; 91.275; 90 | 2484.6 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514601 | CIF | C8 H10 O4 | P -1 | 6.6342; 7.2435; 9.0416 101.074; 109.754; 99.964 | 387.76 | Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science, 2013, 4, 1105 |
1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514604 | CIF | C8 H15 F6 N2 P | P -1 | 9.3869; 9.5879; 14.4964 98.492; 98.354; 101.089 | 1245.85 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514605 | CIF | C8 H15 F6 N2 P | P -1 | 9.5818; 9.5826; 14.5801 99.219; 99.252; 99.667 | 1278.2 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514606 | CIF | C8 H15 F6 N2 P | P -1 | 8.8215; 9.0796; 9.0381 96.671; 114.768; 103.071 | 621.82 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514607 | CIF | C16 H16 N2 O5 S | P 1 21 1 | 4.92063; 15.6607; 10.4554 90; 99.6328; 90 | 794.34 | Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science, 2013, 4, 1111 |
1514608 | CIF | C108 H71 F30 N6 O8 S4 | P -1 | 12.2352; 16.6412; 25.9304 76.808; 80.972; 74.261 | 4922.1 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514609 | CIF | C75 H32 Cl4 F30 N6 S4 | P -1 | 12.2654; 15.3627; 24.8758 101.432; 93.5605; 112.749 | 4186.74 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514610 | CIF | C75.78 H37.56 Cl3.56 F30 N6 S4 | P 1 21/n 1 | 16.133; 7.8286; 29.837 90; 102.318; 90 | 3681.6 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514611 | CIF | C119 H162 F3 Fe5 N17 O41 S Yb3 | P -1 | 16.483; 19.8976; 20.2276 76.119; 74.622; 81.57 | 6185.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514612 | CIF | C85 H111 Fe4 N7 O29 Yb2 | P -1 | 14.2113; 18.558; 19.2 84.231; 70.788; 83.144 | 4737.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514613 | CIF | C72 H94 Fe3 N5 O25 Yb2 | P 1 21/c 1 | 19.9227; 19.679; 22.0382 90; 108.184; 90 | 8208.8 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514614 | CIF | C61 H115 Fe4 N7 O27 S2 Yb2 | P 1 21/c 1 | 14.449; 24.951; 23.76 90; 101.82; 90 | 8384 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514615 | CIF | C182 H353 Fe10 N51 O90 Yb10 | P -1 | 16.553; 20.5964; 21.1312 108.791; 101.118; 95.993 | 6583.9 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514616 | CIF | C46 H60 N2 O14 Yb2 | P 1 21/n 1 | 9.898; 14.2365; 17.039 90; 94.369; 90 | 2394 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514617 | CIF | C17 H31 Cl N2 O6 | P 31 | 32.591; 32.591; 5.1877 90; 90; 120 | 4772 | Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science, 2013, 4, 4494 |
1514618 | CIF | C52 H62 N4 O10 S2 | P -1 | 7.5487; 12.3687; 13.3085 86.885; 79.43; 78.079 | 1194.98 | Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures Chemical Science, 2013, 4, 4486 |
1514619 | CIF | C65 H88 Mg2 N4 O3 | P 21 21 21 | 10.8296; 22.4623; 24.9069 90; 90; 90 | 6058.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514620 | CIF | C59 H82 Mg2 N4 O3 | C 1 2/c 1 | 48.559; 13.67; 17.5247 90; 103.46; 90 | 11313.4 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514621 | CIF | C60 H82 Mg2 N4 O4 | P c c n | 14.5246; 15.621; 25.9215 90; 90; 90 | 5881.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514622 | CIF | C58 H84 Mg2 N4 O2 | C 1 2/c 1 | 22.886; 14.823; 16.196 90; 90.65; 90 | 5494 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514623 | CIF | C72 H104 Mg2 N4 O3 | P -1 | 12.168; 12.6241; 13.176 98.046; 111.433; 109.68 | 1692.2 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514624 | CIF | C73 H106 Mg2 N4 O4 | P 1 21/n 1 | 12.749; 14.372; 18.802 90; 95.03; 90 | 3431.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514626 | CIF | C83 H116 Mg2 N6 O | P 31 2 1 | 12.0374; 12.0374; 44.799 90; 90; 120 | 5621.7 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514627 | CIF | C63 H92 Mg2 N4 O2 S2 | P -1 | 13.1816; 16.205; 31.9827 79.216; 83.332; 68.828 | 6249.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514628 | CIF | C26 H23 N O3 S | P 1 21 1 | 8.6436; 12.2137; 10.588 90; 100.721; 90 | 1098.27 | Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes Chemical Science, 2013, 4, 4499 |
1514629 | CIF | C15 H16 N4 O4 | P 1 21/c 1 | 11.2358; 9.1056; 15.9131 90; 104.579; 90 | 1575.6 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514630 | CIF | C15 H15 F N4 O4 | P 1 21/c 1 | 11.30697; 9.06586; 15.94455 90; 105.28; 90 | 1576.66 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514631 | CIF | C15 H15 F N4 O4 | P -1 | 8.78113; 10.06607; 10.5609 105.871; 72.7172; 71.1516 | 769.83 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514632 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.39598; 9.15968; 15.8701 90; 104.025; 90 | 1607.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514633 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.36104; 9.11522; 15.8828 90; 101.777; 90 | 1610.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514634 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.33562; 9.12362; 15.9442 90; 104.26; 90 | 1598.17 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514635 | CIF | C15 H12 F4 N4 O4 | P 1 21/c 1 | 14.263; 8.13716; 16.0129 90; 121.214; 90 | 1589.4 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514636 | CIF | C36 H20 N4 S4 | P 1 21/c 1 | 13.2146; 8.7249; 26.334 90; 98.44; 90 | 3003.32 | Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes Chemical Science, 2013, 4, 4465 |
1514637 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.042; 32.589; 14.243 90; 100.66; 90 | 5036.9 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514638 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.135; 21.331; 31.17 90; 90; 90 | 9398 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514639 | CIF | C42 H48 B2 F8 N10 Rh2 | P b c a | 14.338; 21.619; 31.136 90; 90; 90 | 9651 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514640 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.11; 31.777; 14.195 90; 101.13; 90 | 4917.2 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514641 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.126; 21.399; 31.434 90; 90; 90 | 9502 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514642 | CIF | C48 H46 B2 F8 N6 P2 Rh2 | P 1 21/c 1 | 22.272; 22.161; 22.409 90; 119.43; 90 | 9633 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514643 | CIF | C22 H20 O | P 1 21/c 1 | 16.0527; 5.5303; 20.7663 90; 115.425; 90 | 1665 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514644 | CIF | C20 H24 O2 | P b c a | 9.79459; 10.18235; 34.1007 90; 90; 90 | 3400.93 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514645 | CIF | C28 H27 Br F3 N O8 S | P 1 21 1 | 11.663; 5.822; 21.566 90; 100.89; 90 | 1438 | Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping Enantioselective intermolecular bromoesterification of allylic sulfonamides Chemical Science, 2013, 4, 2652 |
1514646 | CIF | C19 H13 F2 N4 O3 Pt | P 1 21/m 1 | 6.9645; 25.7559; 9.9824 90; 99.152; 90 | 1767.82 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514647 | CIF | C20 H14 Cl2 F2 N4 O2 Pt | P 1 21/c 1 | 11.5589; 8.2655; 22.3063 90; 111.907; 90 | 1977.3 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514648 | CIF | C20.5 H13 Cl N3 | P -1 | 8.1851; 8.5344; 13.5521 94.129; 99.175; 114.976 | 836.84 | Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods Chemical Science, 2013, 4, 2502 |
1514650 | CIF | C54 H95 Fe N10 O6 | P 1 21 1 | 21.267; 11.483; 26.049 90; 111.875; 90 | 5903.4 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514651 | CIF | C29 H27 B2 Co F8 N5 O | C 1 2/c 1 | 21.346; 12.362; 12.855 90; 120.033; 90 | 2936.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514652 | CIF | C22 H15 F0 Fe N8 O | P 1 21/c 1 | 10.9398; 22.107; 16.8809 90; 92.003; 90 | 4080.1 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514653 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.5995; 14.2091; 24.965 90; 103.148; 90 | 4697.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514654 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.6545; 14.348; 25.328 90; 102.313; 90 | 4848 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514655 | CIF | C39 H17 B F15 P | P 1 21/n 1 | 9.9184; 20.5507; 17.2472 90; 101.677; 90 | 3442.74 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514656 | CIF | C34 H20 B F10 P | P 1 21/c 1 | 8.3314; 23.9142; 14.7962 90; 90.618; 90 | 2947.8 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514657 | CIF | C44 H26 B F15 N P | P 1 21/c 1 | 13.8351; 11.5678; 30.569 90; 101.896; 90 | 4787.2 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514658 | CIF | C39 H29 B F10 N P | P -1 | 10.1806; 10.4896; 17.7612 94.693; 95.33; 112.36 | 1732.34 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514659 | CIF | C46 H30 B Cl4 F15 N P | P 1 21/n 1 | 17.6472; 14.6343; 18.4267 90; 103.288; 90 | 4631.4 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514660 | CIF | C39.5 H30 B Cl F10 N P | C 1 2/c 1 | 39.1199; 16.3061; 23.4811 90; 97.421; 90 | 14853 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514661 | CIF | C34 H30 Br3 N O4 S | P 21 21 21 | 11.8916; 15.4391; 17.7101 90; 90; 90 | 3251.5 | Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity Chemical Science, 2013, 4, 2613 |
1514662 | CIF | C32 H37 Cl6 Ir N2 O3 | P 21 21 21 | 8.5561; 28.71; 29.726 90; 90; 90 | 7302.1 | Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B. Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization Chemical Science, 2013, 4, 2590 |
1514663 | CIF | C15 H10 F2 O | P 1 21/c 1 | 6.6609; 9.7886; 18.8033 90; 106.893; 90 | 1173.09 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514664 | CIF | C15 H12 O | P 1 21/c 1 | 5.8262; 21.4617; 9.2279 90; 95.017; 90 | 1149.44 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514665 | CIF | C55 H54 F6 N O10 P | P 1 21/n 1 | 14.0847; 15.7003; 25.3994 90; 91.481; 90 | 5614.8 | Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava First demonstration of two-step FRET in a synthetic supramolecular assembly Chemical Science, 2013, 4, 2380 |
1514666 | CIF | C28 H18 | C 1 2/c 1 | 23.095; 4.8656; 18.761 90; 122.671; 90 | 1774.6 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514667 | CIF | C32 H14 F12 | P -1 | 8.283; 12.769; 13.17 80.39; 77.65; 71.77 | 1285 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514668 | CIF | C32 H25 O4 | P -1 | 14.463; 15.645; 17.602 107.771; 98.2863; 105.005 | 3554 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514669 | CIF | C36 H34 O8 | P 1 21/c 1 | 11.38; 8.787; 15.36 90; 111.613; 90 | 1428 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514670 | CIF | C32 H20 F6 O2 | P 1 21/n 1 | 17.55; 7.302; 18.848 90; 94.759; 90 | 2407 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514671 | CIF | C32 H24 O2 | P -1 | 10.094; 12.055; 19.805 81.395; 80.7; 89.36 | 2351 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514672 | CIF | C22 H18 O4 | P 1 21/n 1 | 11.675; 5.0054; 14.303 90; 98.451; 90 | 826.8 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514673 | CIF | C12 H15 F3 O3 | P -1 | 10.4133; 12.3601; 16.6001 111.7; 102.333; 93.499 | 1916.15 | Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands Chemical Science, 2013, 4, 2478 |
1514674 | CIF | C20 H20 F N O S | P 1 21/n 1 | 6.7008; 14.8959; 16.9986 90; 93.806; 90 | 1692.96 | Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones Chemical Science, 2013, 4, 2645 |
1514675 | CIF | C20 H13 N3 S | P -1 | 8.3008; 10.0109; 10.1613 76.211; 79.041; 87.821 | 805.07 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514676 | CIF | C22 H23 Cl N3 Rh | P -4 21 c | 22.2937; 22.2937; 8.766 90; 90; 90 | 4356.78 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514677 | CIF | C40 H54 I N3 O Pd | P 1 | 11.3782; 12.8716; 13.5328 103.493; 91.2746; 90.1766 | 1926.7 | Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study Chemical Science, 2013, 4, 1995 |
1514682 | CIF | C28 H27 Cl N2 O S | P 21 21 21 | 11.741; 12.62; 15.891 90; 90; 90 | 2354.6 | Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D. Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes Chemical Science, 2013, 4, 2193 |
1514687 | CIF | C35 H48 Cl N3 O2 | P 1 21/c 1 | 10.3948; 12.9525; 25.0752 90; 92.424; 90 | 3373.1 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514688 | CIF | C39 H53 B2 F8 N3 O3 | P -1 | 8.9329; 15.3817; 16.3064 79.606; 81.358; 75.254 | 2118.34 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514689 | CIF | C79 H48 Cl5 | P -1 | 12.2674; 13.4426; 19.906 83.633; 76.942; 65.569 | 2910.8 | Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin Supersized contorted aromatics Chemical Science, 2013, 4, 2018 |
1514690 | CIF | C16 H23 N O2 | P -1 | 8.796; 8.8679; 10.3885 75.311; 80.306; 71.263 | 738.95 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514691 | CIF | C24 H28 F3 N O2 | P 1 21/c 1 | 9.7796; 10.0791; 21.9689 90; 96.101; 90 | 2153.2 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514692 | CIF | C20 H29 N O2 | P -1 | 10.7367; 11.183; 16.106 76.241; 75.622; 77.643 | 1794.66 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514693 | CIF | C21 H27 Br N O3.5 | P -1 | 8.953; 9.856; 14.208 89.921; 72.269; 70.983 | 1122.3 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514694 | CIF | C19 H22 Br N O4 | C 1 2 1 | 28.468; 6.5087; 10.903 90; 101.161; 90 | 1982 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514695 | CIF | C20 H27 N O4 | P n a 21 | 16.349; 11.424; 20.499 90; 90; 90 | 3828.6 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514696 | CIF | C21 H26 Cl N O4 | P 1 21/n 1 | 13.807; 9.648; 15.895 90; 95.425; 90 | 2107.9 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514697 | CIF | C19 H22 Cl N O3 | P 1 21/n 1 | 12.2391; 13.5132; 12.6257 90; 118.77; 90 | 1830.4 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514698 | CIF | C21 H26 Br N O3 | P 1 21/n 1 | 19.981; 10.4357; 20.133 90; 104.963; 90 | 4055.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514699 | CIF | C19 H25 N O3 | P 1 21/c 1 | 9.0052; 19.3148; 11.0511 90; 110.477; 90 | 1800.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514700 | CIF | C19 H25 N O3 | P 21 21 21 | 8.2536; 12.3017; 17.9593 90; 90; 90 | 1823.47 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514701 | CIF | C16 H20 N2 O3.33 | P 1 21 1 | 9.4884; 7.3139; 12.2804 90; 105.801; 90 | 820.02 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514702 | CIF | C19 H27 N O4 | P 1 21 1 | 10.7474; 7.1883; 12.3435 90; 112.278; 90 | 882.42 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514703 | CIF | C42 H34 B F15 O2 Sc | C 1 2/c 1 | 29.7078; 13.6826; 21.4688 90; 114.327; 90 | 7951.8 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514704 | CIF | C42 H36 B F15 Sc | P 1 21/n 1 | 13.9542; 16.0174; 17.9508 90; 97.5764; 90 | 3977.16 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514705 | CIF | C19 H21 N O3 | P -1 | 6.229; 11.758; 12.009 88.61; 77.64; 83.8 | 854.1 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514706 | CIF | C15 H12 F N O3 | P 1 21/n 1 | 14.6982; 4.5311; 19.448 90; 97.309; 90 | 1284.7 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514707 | CIF | C17 H17 N O6 S | P -1 | 5.707; 7.877; 18.99 98.61; 91.4; 91.03 | 844 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514708 | CIF | C15 H8 F5 N O3 | P 1 21 1 | 7.89; 5.6; 16.51 90; 102.65; 90 | 712 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514709 | CIF | C92 H96 Mo2 N4 O10 S2 | P -1 | 12.6203; 13.1151; 13.4075 81.395; 89.382; 84.039 | 2182.29 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514710 | CIF | C88 H100 Mo2 N4 O11 | P -1 | 12.843; 16.816; 21.696 74.31; 76.48; 72.72 | 4247 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514711 | CIF | C14 H12 N2 | P 1 21 1 | 12.1824; 7.56; 12.3739 90; 106.815; 90 | 1090.9 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514712 | CIF | C15 H17 N5 O2 | P 1 21/c 1 | 10.8034; 6.9959; 19.4702 90; 102.269; 90 | 1437.94 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514713 | CIF | C16 H11 N O S | P n a 21 | 23.0013; 5.0777; 11.154 90; 90; 90 | 1302.72 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514714 | CIF | C10 H5 F N2 S | P 1 21/n 1 | 6.7553; 9.2885; 14.5501 90; 95.168; 90 | 909.26 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
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