Crystallography Open Database

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1515159 CIFC12 H6 O3C 1 2/c 115.185; 8.7609; 7.1418
90; 116.501; 90
850.27Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
β-Oligofurans
Chemical Science, 2012, 3, 2133
1515160 CIFC16 H8 O4A b a 28.8594; 8.8592; 46.7607
90; 90; 90
3670.12Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
β-Oligofurans
Chemical Science, 2012, 3, 2133
1515161 CIFC40 H34 N10 O9P 21 21 2110.3551; 13.6824; 25.595
90; 90; 90
3626.4Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515162 CIFC40 H32 Cl2 N10 O8P 21 21 2110.5103; 13.662; 25.537
90; 90; 90
3666.9Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515163 CIFC40 H32 Cl2 N10 O8P 21 21 2110.5003; 13.6695; 25.51
90; 90; 90
3661.5Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515164 CIFC41 H33.25 Cl0.25 F N9 O8.75P 21 21 2110.4183; 13.6836; 25.671
90; 90; 90
3659.7Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515165 CIFC41 H33 N9 O9P 1 21/n 17.8466; 33.387; 14.0698
90; 94.602; 90
3674Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515166 CIFC46 H36 N10 O9P -110.611; 12.959; 16.4525
73.499; 77.989; 72.668
2051.8Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang
Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities
Chemical Science, 2012, 3, 2042
1515167 CIFC32 H60 N4 O6 Rh2P 1 21/c 16.9865; 19.2728; 14.239
90; 103.327; 90
1865.64Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming
Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system
Chemical Science, 2012, 3, 1785
1515168 CIFC20 H34 N6 O6 Rh2P 1 21/n 116.372; 8.7441; 17.2355
90; 104.039; 90
2393.71Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming
Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system
Chemical Science, 2012, 3, 1785
1515169 CIFC108 H168 N12C 2 2 2118.9708; 25.2751; 26.5778
90; 90; 90
12743.8Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.
Alkylated organic cages: from porous crystals to neat liquids
Chemical Science, 2012, 3, 2153
1515170 CIFC123 H195 Cl9 N12I 2 319.2362; 19.2362; 19.2362
90; 90; 90
7118Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.
Alkylated organic cages: from porous crystals to neat liquids
Chemical Science, 2012, 3, 2153
1515171 CIFC24 H24 N4 O2 S2P 21 21 218.5206; 13.968; 18.439
90; 90; 90
2194.5Boyer, Nicolas; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Gliocladins B and C.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1798-1803
1515172 CIFC49 H50 F O9 PP 21 21 224.661; 27.676; 6.5393
90; 90; 90
4463.2Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.
Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity
Chemical Science, 2012, 3, 1866
1515173 CIFC49 H50 F O9 PP 1 21 117.7436; 5.5873; 22.281
90; 105.469; 90
2128.9Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.
Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity
Chemical Science, 2012, 3, 1866
1515174 CIFC18 H21 Au N3 PP 21 21 2110.131; 16.286; 22.312
90; 90; 90
3681Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils
A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line
Chemical Science, 2012, 3, 2062
1515175 CIFC44 H57 I2 N7 OP 1 21/c 19.249; 36.15; 14.659
90; 109.97; 90
4606.6Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee
A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate
Chemical Science, 2012, 3, 1819
1515176 CIFC35.5 B Cl D F25 OC 1 2/c 128.351; 13.1576; 19.608
90; 112.633; 90
6751.1Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood
Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex
Chemical Science, 2012, 3, 1814
1515177 CIFC41.25 H10.5 B Cl0.25 F25 N2P -111.003; 19.158; 20.004
76.77; 85.03; 73.96
3943.8Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood
Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex
Chemical Science, 2012, 3, 1814
1515178 CIFC23 H22 O5P 17.7512; 8.1381; 8.4256
69.558; 79.669; 74.031
476.75Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun
Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity
Chemical Science, 2012, 3, 1879
1515179 CIFC12 H12 O3P 1 21/c 111.846; 6.8888; 12.417
90; 99.999; 90
997.9Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang
Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one
Chemical Science, 2012, 3, 1975
1515180 CIFC13 H14 O3P -19.013; 9.018; 28.9
87.731; 87.947; 89.841
2346Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang
Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one
Chemical Science, 2012, 3, 1975
1515181 CIFC16 H18 O2 S2P 1 21/c 17.089; 15.631; 13.579
90; 92.518; 90
1503.2Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang
Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one
Chemical Science, 2012, 3, 1975
1515182 CIFC18 H16 O2P n a 2119.372; 5.761; 24.488
90; 90; 90
2733Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang
Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one
Chemical Science, 2012, 3, 1975
1515183 CIFC30 H32 B F16 O PP -111.177; 11.228; 13.582
69.214; 82.733; 82.327
1573.5Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515184 CIFC21 H14 B F16 O PP 1 21/c 116.1479; 9.9549; 15.5394
90; 109.713; 90
2351.6Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515185 CIFC25 H14 B F16 N OP -19.1801; 10.333; 13.984
82.073; 74.808; 80.634
1256.7Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515186 CIFC27 H24 B F16 N OP 1 21/n 111.1705; 16.0049; 15.9286
90; 95.113; 90
2836.4Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515187 CIFC25.5 H17 B Cl F16 N OP -111.938; 15.0103; 16.2877
108.689; 100.946; 90.15
2708.1Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515188 CIFC26 H18 B F16 N OP 1 21/n 19.4047; 11.0955; 25.2965
90; 95.391; 90
2628Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515189 CIFC29 H22 B F16 N2 OP -110.7955; 17.5647; 20.0048
67.706; 77.881; 89.561
3420.7Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515190 CIFC43.99 H27.98 B Cl1.98 F16 O PP 1 21/c 117.2019; 14.7018; 16.5689
90; 96.135; 90
4166.3Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515191 CIFC28 H28 B F16 N OP 1 21/n 111.1411; 17.8797; 14.7969
90; 98.591; 90
2914.5Zhao, Xiaoxi; Stephan, Douglas W.
Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
Chemical Science, 2012, 3, 2123
1515192 CIFC8 H10 N12 O ZnR -3 :H23.862; 23.862; 14.686
90; 90; 120
7241.8Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian
N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery
Chemical Science, 2012, 3, 2114
1515193 CIFC44 H38 N6 O2 S6 Zn2P -112.575; 13.205; 14.031
112.044; 95.622; 104.585
2041.3Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515194 CIFC31 H47 B N6 O3 ZnP 1 21/n 110.75; 19.725; 15.634
90; 91.283; 90
3314Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515195 CIFC39 H30 N6 O3 S6 Zn2P 1 21/c 122.3176; 10.4067; 17.2733
90; 99.229; 90
3959.8Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515196 CIFC23 H19 N3 O3 S3 ZnP 1 21/n 18.928; 14.6268; 18.4948
90; 103.861; 90
2344.9Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515197 CIFC35 H28 N6 O3.5 S6 Zn2C 1 2/c 131.669; 8.7545; 28.505
90; 108.802; 90
7481Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515198 CIFC40.75 H36 N6 O2 S6 Zn2P -112.632; 15.474; 22.903
93.59; 96.263; 107.39
4225.2Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515199 CIFC33 H24 N6 O3 S6 Zn2P 1 21/n 18.8656; 28.048; 14.4431
90; 102.816; 90
3502Sattler, Wesley; Parkin, Gerard
Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase
Chemical Science, 2012, 3, 2015
1515200 CIFC48 H72 K2 N6 O18P 1 21/n 122.76; 7.558; 31.61
90; 97.626; 90
5389Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.
Tunable transmembrane chloride transport by bis-indolylureas
Chemical Science, 2012, 3, 1436
1515201 CIFC56 H104 N8 O10 P2C 1 2/c 119.3998; 20.67; 16.7096
90; 112.026; 90
6211.4Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.
Tunable transmembrane chloride transport by bis-indolylureas
Chemical Science, 2012, 3, 1436
1515202 CIFC45 H45 Cl5 Fe N3 O4 PP 1 21/c 119.234; 14.717; 16.801
90; 107.866; 90
4526.5McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515203 CIFC30 H26 Fe2 N6 O9C 1 2/c 118.81; 8.8413; 23.661
90; 109.478; 90
3709.7McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515204 CIFC42 H58 Fe2 N6 O13C 1 2/c 124.8834; 8.8381; 24.4677
90; 120.136; 90
4653.7McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515205 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.7223; 21.7779; 16.3387
90; 105.321; 90
3679.6Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515206 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.7119; 21.742; 16.4105
90; 105.404; 90
3684.7Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515207 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.7245; 21.8948; 16.3488
90; 105.251; 90
3703.7Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515208 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.786; 22.362; 16.405
90; 104.945; 90
3823Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656

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