Crystallography Open Database

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1511942 CIFC45 H27 O8P 21 21 214.714; 22.636; 9.8621
90; 90; 90		3284.7Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro
Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts
Organic Letters, 2013, 15, 2164
1512145 CIFC13 H25 O4.5P 21 21 213.0378; 17.163; 6.2782
90; 90; 90		1404.9Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.
Journal of natural products, 2013, 76, 1303-1312
1512158 CIFC27 H35 N O2P 21 21 211.542; 24.4903; 7.7765
90; 90; 90		2198.16Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming
Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.
Journal of natural products, 2013, 76, 1328-1336
1512159 CIFC27 H35 N O2P 21 21 211.6639; 24.764; 7.7832
90; 90; 90		2248.1Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming
Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.
Journal of natural products, 2013, 76, 1328-1336
1512196 CIFC23 H30 N3 O9P 21 21 215.3838; 14.0397; 10.9931
90; 90; 90		2374.33Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia
Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position
Organic Letters, 2013, 15, 3718
1512348 CIFC21 H24 N2 O5P 21 21 211.3046; 26.6589; 6.2333
90; 90; 90		1878.5Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.
A Highly Stereoselective Diels–Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides
Organic Letters, 2013, 15, 4842
1512591 CIFC14 H13 N O5 SP 21 21 28.103; 23.0098; 7.3274
90; 90; 90		1366.18Yang, Aigang; Si, Longlong; Shi, Zhenping; Tian, Li; Liu, Dong; Zhou, Demin; Proksch, Peter; Lin, Wenhan
Nitrosporeusines A and B, Unprecedented Thioester-Bearing Alkaloids from the ArcticStreptomyces nitrosporeus
Organic Letters, 2013, 15, 5366
1512757 CIFC18 H20 Co2 N2 O12P 21 21 222.334; 6.746; 7.597
90; 90; 90		1144.6Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks
Inorganica Chimica Acta, 2013, 394, 367-372
1512758 CIFC18 H20 N2 Ni2 O12P 21 21 222.186; 6.731; 7.575
90; 90; 90		1131.2Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks
Inorganica Chimica Acta, 2013, 394, 367-372
1512759 CIFC20 H24 N2 Ni2 O13P 21 21 223.6987; 9.6879; 10.4569
90; 90; 90		2400.81Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks
Inorganica Chimica Acta, 2013, 394, 367-372
1512810 CIFC12 H13 N O6P 21 21 221.196; 15.0676; 8.0827
90; 90; 90		2581.4Devendra Singh; Jubaraj B. Baruah
Hydroxy-carboxylates of manganese, zinc and cadmium
Inorganica Chimica Acta, 2013, 394, 703-709
1512881 CIFC30 H34 N4 O4 PdP 21 21 210.5048; 19.649; 7.3228
90; 90; 90		1511.5Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros
Tuning structure and properties of Pd and Pt camphor derived complexes
Inorganica Chimica Acta, 2013, 395, 169-175
1513241 CIFC24 H44 O3 SiP 21 21 214.8863; 25.4284; 6.6202
90; 90; 90		2505.98Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre
Total synthesis of (+)-cassaine utilizing an anionic polycyclization strategy.
Organic letters, 2013, 15, 6270-6273
1513459 CIFC22 H21 N O5P 21 21 28.3847; 26.3518; 8.3634
90; 90; 90		1847.91Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie
Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.
Organic letters, 2014, 16, 788-791
1513473 CIFC21 H30 O6P 21 21 223.138; 24.004; 8.6874
90; 90; 90		4825Gao, Xiu; Shao, Li-Dong; Dong, Liao-Bin; Cheng, Xiao; Wu, Xing-De; Liu, Fei; Jiang, Wei-Wei; Peng, Li-Yan; He, Juan; Zhao, Qin-Shi
Vibsatins A and B, Two New Tetranorvibsane-Type Diterpenoids from Viburnum tinus cv. variegatus.
Organic letters, 2014, 16, 980-983
1513492 CIFC46 H76 N2 O8 P4 Pt2P 21 21 215.6572; 20.2909; 9.0472
90; 90; 90		2874.28Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo
Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.
Organic letters, 2014, 16, 664-667
1513821 CIFC44.4 H34.4 Cl7.2 N4 O8 S2P 21 21 215.769; 27.12; 11.319
90; 90; 90		4841Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel
Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites
Organic Letters, 2014, 16, 1302-1305
1514350 CIFC21 H18 Br2 F N3 OP 21 21 219.716; 23.201; 4.2513
90; 90; 90		1944.7Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M.
Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties.
Journal of medicinal chemistry, 2014, 57, 3746-3754
1514579 CIFC54 H78 Cl Ir N2 O2P 21 21 225.5236; 13.7422; 14.3634
90; 90; 90		5038Barnard, 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
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
1515301 CIFC14 H20 F6 O6P 21 21 222.9706; 5.146; 8.0376
90; 90; 90		950.1Kataoka, Keisuke; Katagiri, Toshimasa
Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.
Nanoscale, 2012, 4, 5098-5101
1515646 CIFC33.25 H37.25 Cl1.5 N2 O4 SiP 21 21 28.3338; 25.68; 15.2004
90; 90; 90		3253.1Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.
A practical, convergent route to the key precursor to the tetracycline antibiotics.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1710-1718
1515947 CIFC28 H37 N O5 SiP 21 21 215.368; 55.574; 6.2795
90; 90; 90		5363.1Trost, Barry M.; Ehmke, Veronika
An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.
Organic letters, 2014, 16, 2708-2711
1515978 CIFC18 H22 Br N O5P 21 21 218.9352; 29.3697; 6.2956
90; 90; 90		3501.1Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang
One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.
Organic letters, 2014, 16, 2724-2727
1516023 CIFC32 H60 O10P 21 21 211.2093; 38.8302; 7.2838
90; 90; 90		3170.34Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang
Dammarane-Type Triterpenoids from Gentianella azurea.
Journal of natural products, 2014, 77, 1201
1516188 CIFC18 H17 O6P 21 21 25.4674; 29.89; 4.4627
90; 90; 90		729.3La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D.
Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae.
Journal of natural products, 2011, 74, 2045-2051
1516355 CIFC3 H8 N2 OP 21 21 24.979; 10.775; 4.5764
90; 90; 90		245.52Martins, David M. S.; Spanswick, Christopher K.; Middlemiss, Derek S.; Abbas, Nasir; Pulham, Colin R.; Morrison, Carole A.
A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations.
The journal of physical chemistry. A, 2009, 113, 5998-6003
1516960 CIFC39 H34 Cl2 N2 O2 PdP 21 21 214.654; 11.152; 10.05
90; 90; 90		1642.4Takashi Tsuno; Haruka Iwabe; Henri Brunner
Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands
Inorganica Chimica Acta, 2013, 400, 262-266
1516988 CIFC17 H16 O6P 21 21 26.787; 23.691; 4.5084
90; 90; 90		724.9Victor Barba; Paola Ramos; Danae Jimenez; Abraham Rivera; Ariel Meneses
Calixarene and hemicarcerand-like compounds obtained by self-assembly of 3-aminophenylboronic acid and salicylaldehyde derivatives
Inorganica Chimica Acta, 2013, 401, 30-37
1517193 CIFC31 H36 Cl N O6 S2P 21 21 234.7416; 11.7295; 7.4495
90; 90; 90		3035.68Gu, Jing; Ma, Chao; Li, Qing-Zhu; Du, Wei; Chen, Ying-Chun
β,γ-Regioselective Inverse-Electron-Demand Aza-Diels-Alder Reactions with α,β-Unsaturated Aldehydes via Dienamine Catalysis.
Organic letters, 2014, 16, 3986-3989
1517488 CIFC26 H29 N3 O5P 21 21 214.8053; 25.638; 6.416
90; 90; 90		2435.4Zhang, Peng; Mándi, Attila; Li, Xiao-Ming; Du, Feng-Yu; Wang, Jia-Ning; Li, Xin; Kurtán, Tibor; Wang, Bin-Gui
Varioxepine A, a 3H-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus Paecilomyces variotii.
Organic letters, 2014, 16, 4834-4837
1517896 CIFC20 H26 N2 O4P 21 21 211.536; 19.2745; 8.1119
90; 90; 90		1803.69Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok
Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.
Journal of natural products, 2014, 77, 2068-2080
1517908 CIFC30 H42 O5P 21 21 212.7999; 27.2648; 7.9116
90; 90; 90		2761Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei
Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.
Organic letters, 2014, 16, 5092-5095
1517935 CIFC19 H33 N O7 SP 21 21 214.3472; 17.3099; 8.191
90; 90; 90		2034.2Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.
trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.
Organic letters, 2014, 16, 5104-5107
1517994 CIFNb2 P S10P 21 21 213.739; 12.95; 7.211
90; 90; 90		1283Brec, Raymond; Grenouilleau, Philippe; Evain, Michel; Rouxel, Jean
PNb2S10 a new two-dimensional sulfide. Synthesis and structural characterization
Revue de Chimie Minerale, 1983, 20, 295-305
1518184 CIFC24 H27 O9.5P 21 21 214.1928; 17.7023; 10.7282
90; 90; 90		2695.4Luo, Jian-Guang; Wang, Xiao-Bing; Xu, Ya-Ming; U'Ren, Jana M; Arnold, A. Elizabeth; Kong, Ling-Yi; Gunatilaka, A. A. Leslie
Delitschiapyrone A, a pyrone-naphthalenone adduct bearing a new pentacyclic ring system from the leaf-associated fungus Delitschia sp. FL1581.
Organic letters, 2014, 16, 5944-5947
1518270 CIFC17 H18 Br F3 N2 O5P 21 21 213.3503; 26.402; 11.0275
90; 90; 90		3886.9Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan
Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.
Organic letters, 2014, 16, 6032-6035
1518426 CIFC19 H16 O5P 21 21 28.5692; 21.534; 7.9705
90; 90; 90		1470.79Centko, Ryan M.; Steinø, Anne; Rosell, Federico I.; Patrick, Brian O.; de Voogd, Nicole; Mauk, A. Grant; Andersen, Raymond J.
Indoleamine 2,3-dioxygenase inhibitors isolated from the sponge Xestospongia vansoesti: structure elucidation, analogue synthesis, and biological activity.
Organic letters, 2014, 16, 6480-6483
1518490 CIFC36 H34 Co2 F6 N O5 P2P 21 21 215.8829; 19.5684; 11.5831
90; 90; 90		3600.1Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier
Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.
Organic letters, 2015, 17, 250-253
1519131 CIFC14 H22 Br N O3 SP 21 21 214.7756; 14.178; 7.7793
90; 90; 90		1629.7Ward, Robert S.; Hursthouse, Michael B.
C14H22BrNO3S
Crystal Structure Report Archive, 1993, 1189
1519286 CIFC9 H20 N2 O3P 21 21 218.5858; 7.649; 8.0285
90; 90; 90		1141.35Gelbrich, Thomas; Shepherd, Emma; Hursthouse, Michael B.; Kilburn, Jeremy D.
N,N,N-Trimethylmethanaminium 2-(acetylamino)propanoate
Crystal Structure Report Archive, 2000, 405
1519885 CIFC13 H10 Br2 N2 OP 21 21 211.5691; 11.5772; 4.6662
90; 90; 90		624.98Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
N,N'-bis(2-Bromoyphenyl)urea
Crystal Structure Report Archive, 2008, 689
1519896 CIFC15 H16 N2 OP 21 21 29.5899; 14.5337; 4.6028
90; 90; 90		641.52Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
N,N'-bis(3-Methylphenyl)urea
Crystal Structure Report Archive, 2008, 688
1519920 CIFC13 H10 I2 N2 OP 21 21 29.6365; 15.3873; 4.567
90; 90; 90		677.19Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
N,N'-bis(3-Iodophenyl)urea
Crystal Structure Report Archive, 2008, 683
1519922 CIFC13 H10 Br2 N2 OP 21 21 29.5368; 14.7516; 4.5621
90; 90; 90		641.81Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
N,N'-bis(3-Bromoyphenyl)urea
Crystal Structure Report Archive, 2008, 685
1520622 CIFC38.39 H77.58 F N O12P 21 21 218.978; 24.2645; 10.3218
90; 90; 90		4753.1Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique
Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity
Chem. Sci., 2015, 6, 5293
1521136 CIFCo Mo TeP 21 21 25.2432; 5.052; 8.8432
90; 90; 90		234.244Hayashi, H.; Kokawa, N.; Moriga, T.; Koto, K.; Sugiyama, S.
The Rietveld analysis of crystal structure of an additive telluromolybdate Co Te Mo O6
Journal of Molecular Catalysis, 1999, 145, 301-307
1521454 CIFNb6.7 O47 W10.3P 21 21 212.2567; 36.633; 3.9496
90; 90; 90		1773.37Krumeich, F.; Woerle, M.; Hussain, A.
Superstructure and twinning in the tetragonal tungsten bronze-type phase Nb7 W10 O47
Journal of Solid State Chemistry, 2000, 149, 428-433
1524391 CIFNb2 O11 Te3P 21 21 27.7; 15.7; 3.979
90; 90; 90		481.021Galy, J.; Lindqvist, O.
The crystal structure of Te3 Nb2 O11
Journal of Solid State Chemistry, 1979, 27, 279-286
1526074 CIFC12 H41 F4 Ga7 N4 O36 P8 ZnP 21 21 224.814; 18.458; 10.2575
90; 90; 90		4698.11Mrak, M.; Zabukovec Logar, N.; Helliwell, M.; Ristic, A.; Kaucic, V.
Structure refinement of zinc containing gallophosphate with the ULM-5 structure
Acta Chimica Slovenica, 2001, 48, 147-158

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