Crystallography Open Database

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1548365 CIFC29 H23 N3 O5P 21 21 217.7318; 14.2451; 21.9203
90; 90; 90
2414.3Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi
Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis
Nature Communications, 2016, 7, 12901
1548366 CIFC28 H21 N3 O5P 21 21 217.6735; 14.4087; 21.653
90; 90; 90
2394.1Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi
Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis
Nature Communications, 2016, 7, 12901
1548367 CIFC29 H22 F N3 O5P 21 21 217.7205; 14.332; 22.282
90; 90; 90
2465.5Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi
Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis
Nature Communications, 2016, 7, 12901
1548368 CIFC22 H17 N3 O5P 21 21 2110.4773; 11.3275; 15.9059
90; 90; 90
1887.74Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi
Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis
Nature Communications, 2016, 7, 12901
1548369 CIFC15 H7 O7.59 ThP 63/m26.009; 26.009; 9.8065
90; 90; 120
5745Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang
A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants
Nature Communications, 2017, 8, 1354
1548370 CIFC228 H288 N12P -120.8082; 24.0721; 26.2995
80.2288; 72.5101; 75.3058
12090.9Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Nature Communications, 2016, 7, 12469
1548371 CIFC252 H324 N12R 323.3017; 23.3017; 51.4329
90; 90; 120
24185Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Nature Communications, 2016, 7, 12469
1548372 CIFC252 H324 N12R 323.1134; 23.1134; 52.322
90; 90; 120
24207.1Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Nature Communications, 2016, 7, 12469
1548373 CIFC252 H324 N12R 323.121; 23.121; 51.666
90; 90; 120
23919Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Nature Communications, 2016, 7, 12469
1548374 CIFC252 H324 N12R 323.2072; 23.2072; 52.1786
90; 90; 120
24337.1Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Nature Communications, 2016, 7, 12469
1548375 CIFC36 H18 Cu3 N18 O15R -3 :H22.4857; 22.4857; 11.0509
90; 90; 120
4838.84Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong
Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework
Nature Communications, 2017, 8, 1233
1548398 CIFC32 H29 Cl N2 O4 SC 1 2/c 133.9594; 8.3689; 19.1807
90; 96.408; 90
5417.2Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548399 CIFC32 H29 Cl N2 O4 SP -18.9003; 13.1778; 13.2084
108.296; 102.628; 99.444
1389.26Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548400 CIFC29 H32 Br N2 O5 PP -19.6736; 12.6142; 12.7109
108.99; 99.303; 96.865
1422.5Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548401 CIFC32 H29 Cl N2 O4 SP 21 21 218.9464; 16.7038; 19.5947
90; 90; 90
2928.2Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548402 CIFC33 H31 Cl N2 O4 SP 21 21 218.9148; 16.9063; 19.8682
90; 90; 90
2994.5Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548403 CIFC28 H32 Cl N2 O4 PC 1 2/c 124.051; 11.1897; 20.9345
90; 93.412; 90
5624Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548404 CIFC24 H19 Cl2 N O2P 1 21/c 110.0939; 24.1607; 9.0663
90; 112.346; 90
2045Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou
Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones
Nature Communications, 2017, 8, 1619
1548405 CIFC14 H9 Br O SP 1 21 15.9996; 4.9812; 18.7925
90; 91.68; 90
561.38Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter
Regioselective synthesis of C3 alkylated and arylated benzothiophenes
Nature Communications, 2017, 8, 14801
1548406 CIFC25 H26 N2 OP 1 21/n 18.0485; 10.3008; 24.936
90; 90.873; 90
2067.1Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li
Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles
Nature Communications, 2017, 8, 14720
1548412 CIFC23 H26 N6 O6 SP 1 21 110.0193; 11.4723; 10.4263
90; 92.079; 90
1197.66Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park
Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction
Nature Communications, 2016, 7, 13196
1548416 CIFC19 H30 O5C 1 2/c 132.5104; 7.542; 18.7992
90; 123.469; 90
3845.1Chaosheng Luo; Zhen Wang; Yong Huang
Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic
Nature Communications, 2015, 6, 10041
1548417 CIFC15 H20 I N O3 SP 1 21/n 111.4472; 5.3308; 28.617
90; 95.192; 90
1739.12Chaosheng Luo; Zhen Wang; Yong Huang
Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic
Nature Communications, 2015, 6, 10041
1548418 CIFC16 H19 N O2 SP 21 21 215.9278; 8.3994; 31.263
90; 90; 90
1556.58Chaosheng Luo; Zhen Wang; Yong Huang
Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic
Nature Communications, 2015, 6, 10041
1548420 CIFC26 H37 Br2 N O SiP -18.5127; 9.9548; 16.5298
85.838; 75.41; 84.304
1347.26Xijian Li; Siyu Peng; Li Li; Yong Huang
Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
Nature Communications, 2015, 6, 6913
1548421 CIFC26 H39 N O SiP 1 21/c 114.2427; 14.0437; 13.5442
90; 111.769; 90
2515.9Xijian Li; Siyu Peng; Li Li; Yong Huang
Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
Nature Communications, 2015, 6, 6913
1548422 CIFC27 H37 N O2 SiP 1 21/n 116.8831; 7.8642; 19.9523
90; 100.544; 90
2604.38Xijian Li; Siyu Peng; Li Li; Yong Huang
Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
Nature Communications, 2015, 6, 6913
1548423 CIFC45 H62 N4 O9 Si2P -110.9419; 13.4756; 18.147
83.987; 80.786; 68.014
2446.21Xijian Li; Siyu Peng; Li Li; Yong Huang
Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
Nature Communications, 2015, 6, 6913
1548448 CIFC25 H40 O5 SiP b c a11.5577; 16.8408; 24.6521
90; 90; 90
4798.3Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin
Total synthesis of atropurpuran
Nature Communications, 2016, 7, 12183
1548470 CIFC44 H70 F3 N5 O9 S Si2P 1 21/n 113.0627; 22.7178; 18.8564
90; 107.908; 90
5324.6Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino
Total synthesis of palau'amine
Nature Communications, 2015, 6, 8731
1548474 CIFC21 H25 N O3P 419.5905; 9.5905; 19.7424
90; 90; 90
1815.86Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548475 CIFC19 H25 N O6P 21 21 218.8437; 13.309; 16.8901
90; 90; 90
1988Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548476 CIFC18 H25 N O3P 21 21 2110.6408; 17.7283; 18.1077
90; 90; 90
3415.9Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548477 CIFC18 H23 N O3P 21 21 219.3102; 9.6848; 18.5136
90; 90; 90
1669.32Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548478 CIFC22 H27 N O3C 1 2 130.107; 5.8007; 11.5447
90; 99.634; 90
1987.8Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548479 CIFC14 H23 N O3P 41 21 212.8285; 12.8285; 18.0935
90; 90; 90
2977.7Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548480 CIFC10 H16 N O3P 15.0728; 14.5938; 15.1058
83.648; 81.203; 83.714
1093.47Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548496 CIFC25 H24 N2 O5 SP 21 21 218.4096; 15.0102; 18.0794
90; 90; 90
2282.2Ming Yang; Jian Li; Ang Li
Total synthesis of clostrubin
Nature Communications, 2015, 6, 6445
1548561 CIFC23 H29 N O3I 425.728; 25.728; 6.5313
90; 90; 90
4323.3Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li
Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families
Nature Communications, 2015, 6, 6096
1548562 CIFC23 H27 N O4P 1 21 17.3863; 6.6732; 19.53
90; 90.68; 90
962.6Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li
Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families
Nature Communications, 2015, 6, 6096
1548563 CIFC34 H43 N O5 S SiP 110.6277; 11.3209; 15.3086
70.82; 77.972; 66.025
1583.5Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li
Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families
Nature Communications, 2015, 6, 6096
1552076 CIF
HKL
N2 ReP 1 21/c 13.6254; 6.407; 4.948
90; 111.48; 90
106.95Bykov, Maxim; Chariton Stella; Fedotenko Timofey; Ponomareva Alena V.; Tasnadi Ferenc; Vogel Sebastian; Schnick Wolfgang; Prakapenka Vitali; Hanfland Michael; Liermann Hanns-Peter; Abrikosov Igor A.; Dubrovinskaia Natalia; Dubrovinsky Leonid
High-pressure synthesis of an ultraincompressible and hard material ReN2 stable at ambient conditions
Nature Communications, 2019, 10, 2994
1552077 CIFC48 H64 F6 N6 O10 Pd2 S2C 1 2/c 118.868; 14.993; 23.283
90; 107.387; 90
6286Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nature Communications, 2014, 5, 5557
1552078 CIFC264 H280 N32 O16 Pd8 Zn2P 4/m n c32.76; 32.76; 35.29
90; 90; 90
37874Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nature Communications, 2014, 5, 5557
1552079 CIFC340 H280 N32 O16 Pd8 Zn2P 4/m n c32.16; 32.16; 34.85
90; 90; 90
36044.2Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nature Communications, 2014, 5, 5557
1552080 CIFC380 H280 N23 O16 Pd8 ZP 4/m n c32.202; 32.202; 34.972
90; 90; 90
36265Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nature Communications, 2014, 5, 5557
1564658 CIFC14 H14 Cl3 F20 O9 S3 Sb3P 1 21/c 19.4633; 24.9968; 14.8197
90; 92.583; 90
3502.1Hoffmann, Kurt F.; Wiesner, Anja; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Kazim, Muhammad; Pitts, Cody Ross; Lectka, Thomas; Riedel, Sebastian
Structural proof of a [C‒F‒C]+ fluoronium cation
Nature Communications, 2021, 12, 5275
1566634 CIFD2 OF d -3 m :26.356; 6.356; 6.356
90; 90; 90
256.774Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H.
Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate
Nature Communications, 2020, 11, 464
1566653 CIFD2 OP -48.61942; 8.61942; 5.59301
90; 90; 90
415.529Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.
Experimental evidence for the existence of a second partially-ordered phase of ice VI
Nature Communications, 2021, 12, 1129
1566654 CIFD2 OP c c 28.6278; 8.6114; 5.59299
90; 90; 90
415.54Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.
Experimental evidence for the existence of a second partially-ordered phase of ice VI
Nature Communications, 2021, 12, 1129

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