Crystallography Open Database

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1540452 CIFC24 H25 B N2 O2P 1 21 16.0264; 14.0749; 12.3126
90; 94.934; 90
1040.5Luisier, N.; Scopelliti, R.; Severin, K.
Supramolecular gels based on boronate esters and imidazolyl donors.
Soft matter, 2016, 12, 588-593
1540453 CIFC17 H14 B N3 O2P c a 2119.788; 6.095; 12.5928
90; 90; 90
1518.8Luisier, N.; Scopelliti, R.; Severin, K.
Supramolecular gels based on boronate esters and imidazolyl donors.
Soft matter, 2016, 12, 588-593
1540454 CIFC20 H14 S2P -18.9174; 9.1478; 11.846
92.804; 110.458; 116.89
782.3Nell, Kara M.; Fontenot, Sean A.; Carter, Timothy G.; Warner, Marvin G.; Warner, Cynthia L.; Addleman, R. Shane; Johnson, Darren W.
Non-covalent functionalization of high-surface area nanomaterials: a new class of sorbent materials
Environ. Sci.: Nano, 2016, 3, 138
1540455 CIFC94 H100 Au2 Cl6 Fe4 N8C 1 2/c 127.57803; 11.91923; 27.111
90; 95.085; 90
8876.6Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256
1540456 CIFC50 H48 Au Fe4 I N4P -112.3866; 12.62423; 15.23356
90.566; 98.3173; 114.321
2141.5Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256
1540457 CIFC31 H56 Cl2 N10P 1 21/m 15.8762; 23.96; 12.4969
90; 91.956; 90
1758.5Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.
s-Heptazine oligomers: promising structural models for graphitic carbon nitride
Chem. Sci., 2016, 7, 945
1540458 CIFC60 H91 N21 O4P 1 21/c 121.414; 11.9388; 25.308
90; 96.333; 90
6430.7Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.
s-Heptazine oligomers: promising structural models for graphitic carbon nitride
Chem. Sci., 2016, 7, 945
1540459 CIFC23 H41 Cl Ni O3 P2P 1 21/c 114.485; 7.985; 23.646
90; 106.418; 90
2623.4Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540460 CIFC23 H41 Cl Ni O2 P2P 1 21/n 19.8433; 19.618; 13.982
90; 105.052; 90
2607.4Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540461 CIFC23 H42 Ni O3 P2P 1 21/n 19.756; 19.408; 14.026
90; 104.528; 90
2570.8Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540462 CIFC23 H42 Ni O2 P2P 1 21/n 19.528; 20.201; 13.434
90; 100.908; 90
2539Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540463 CIFC30 H56 Ni O2 P2P 1 21/n 115.131; 12.589; 17.529
90; 106.717; 90
3197.9Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540464 CIFC25 H44 B F4 N Ni O2 P2P 1 21/m 17.6473; 12.5571; 15.1719
90; 92.552; 90
1455.5Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540465 CIFC28 H40 O8P 43 21 210.5228; 10.5228; 52.456
90; 90; 90
5808.4Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.
Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.
Journal of natural products, 2015, 78, 2726-2730
1540466 CIFC38.5 H52 O10.5P 3118.4501; 18.4501; 9.9236
90; 90; 120
2925.5Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.
Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.
Journal of natural products, 2015, 78, 2726-2730
1540467 CIFC17 H11 N3 O6P 1 21/c 19.9877; 15.1541; 10.2131
90; 103.161; 90
1505.2Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon
Synergistic catalysis: cis-cyclopropanation of benzoxazoles
Chem. Sci., 2016, 7, 984
1540468 CIFC20 H16 Br N OP 21 21 215.616; 13.1439; 22.937
90; 90; 90
1693.1Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540469 CIFC16 H15 Br NP b c a16.0499; 7.6796; 22.6554
90; 90; 90
2792.4Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540470 CIFC22 H20 Br N OP 1 21/n 19.5118; 19.672; 9.821
90; 91.45; 90
1837.1Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540471 CIFC17 H18 Br NP b c a17.503; 8.0333; 21.133
90; 90; 90
2971.4Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540472 CIFC23 H22 Br N OC 1 2/c 118.368; 9.0221; 23.995
90; 102.82; 90
3877.3Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540473 CIFC18 H20 Br NP b c a16.319; 8.0724; 24.455
90; 90; 90
3221.5Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540474 CIFC24 H24 Br N OP 1 21/n 15.7109; 12.738; 28.186
90; 90.021; 90
2050.4Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran
Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect
Chem. Sci., 2015
1540475 CIFC18 H19 N O3P 21 21 216.1323; 7.4365; 33.4178
90; 90; 90
1523.95Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540476 CIFC19 H21 N O3P 1 21 18.719; 5.6224; 17.2361
90; 96.032; 90
840.26Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540477 CIFC18 H21 N O4C 1 2 114.0792; 6.7979; 17.748
90; 95.958; 90
1689.47Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540478 CIFC19 H21 N O3P 21 21 217.3552; 13.6032; 17.2196
90; 90; 90
1722.89Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540479 CIFC18 H19 N O3P 21 21 215.9065; 7.9113; 32.9027
90; 90; 90
1537.48Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540480 CIFC18 H17 N O2P 21 21 216.0722; 8.115; 29.7039
90; 90; 90
1463.69Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540481 CIFC21 H19 N O4P b c a9.4116; 15.8331; 24.7415
90; 90; 90
3686.8Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540482 CIFC19 H21 N O3P 1 21 18.5617; 5.5085; 17.2021
90; 103.015; 90
790.45Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540483 CIFC18 H19 N O3P 1 21 19.9132; 7.0748; 11.5133
90; 104.337; 90
782.32Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540484 CIFC19 H21 N O3P 21 21 217.5426; 12.0156; 17.4134
90; 90; 90
1578.16Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540485 CIFC29 H39 Cl O3 P2 PdP 21 21 2110.278; 15.524; 18.474
90; 90; 90
2947.6Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540486 CIFC25 H45 F6 O3 P3 PdP -18.338; 13.576; 14.319
81.992; 83.829; 75.466
1549.2Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540487 CIFC31 H51 Cl2 F6 N O3 P3 PdC 1 c 18.2128; 22.725; 20.504
90; 100.299; 90
3765.1Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540488 CIFC35 H47 Cl5 F6 O5 P3 PdP 1 21/c 111.521; 16.475; 22.564
90; 99.836; 90
4219.9Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide–palladium catalysts
Chem. Sci., 2016, 7, 737
1540489 CIFC38 H44 F12 N O3 P3 PdP b c a14.361; 22.678; 25.532
90; 90; 90
8315Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540490 CIFC20 H32 O3P 21 21 217.6689; 10.2286; 22.608
90; 90; 90
1773.42Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.
Labdane and Clerodane Diterpenoids from Colophospermum mopane.
Journal of natural products, 2015, 78, 2494-2504
1540491 CIFC20 H32 O3P 21 21 2114.0499; 17.2599; 31.2403
90; 90; 90
7575.8Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.
Labdane and Clerodane Diterpenoids from Colophospermum mopane.
Journal of natural products, 2015, 78, 2494-2504
1540492 CIFC10 H26 Fe2 N2 O18P 1 21/n 18.2586; 15.8638; 9.4209
90; 113.19; 90
1134.5Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi
A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework
Chem. Sci., 2016, 7, 1349
1540493 CIFC10 H26 Mg2 N2 O18P 1 21/n 18.292; 15.688; 9.38
90; 114.8; 90
1107.7Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi
A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework
Chem. Sci., 2016, 7, 1349
1540494 CIFC35 H30P 1 21/n 17.3879; 15.852; 41.261
90; 90.675; 90
4831.9Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540495 CIFC44 H39 NR -3 :H18.861; 18.861; 7.446
90; 90; 120
2294Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540496 CIFC49 H42C 1 2/c 129.026; 7.501; 33.242
90; 104.96; 90
6992Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540497 CIFC62.9 H62.9 Cl2.71P b c a14.3269; 17.0916; 42.481
90; 90; 90
10402.3Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540498 CIFC63 H54P 1 21/n 122.263; 7.4477; 28.978
90; 109.502; 90
4529.1Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540499 CIFC39 H30P b c a16.2912; 15.2859; 43.96
90; 90; 90
10947.2Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540500 CIFC15 H14 N2 O3 SP 21 21 216.182; 8.842; 26.31
90; 90; 90
1438Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro
Chiral Brønsted acid-catalyzed enantioselective Friedel–Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ
Chem. Sci., 2016, 7, 1057
1540501 CIFAs3 Ga Sr3P n m a12.757; 19.268; 6.503
90; 90; 90
1598.4Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Crystals, 2015, 5, 433

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