Crystallography Open Database

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1100441 CIFC15.32 H28.3 N O3.33P 6115.488; 15.488; 11.604
90; 90; 120
2410.62Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus
Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes
Liebigs Annalen/Recueil, 1997, 1997, 423-434
1100460 CIFC7 H9 N O2 SP 6113.82; 13.82; 8.625
90; 90; 120
1426.61Bolm, Carsten; Müller, Peter; Harms, Klaus
Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes
Acta Chemica Scandinavica, 1996, 50, 305-315
1502209 CIFC43 H56 Cl4 N2 O4 Rh2 S2P 6115.457; 15.457; 42.11
90; 90; 120
8713Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng
Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.
Organic letters, 2011, 13, 3300-3303
1502283 CIFC15 H19 N O2 SP 6110.645; 10.645; 22.016
90; 90; 120
2160.5Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio
Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.
Organic letters, 2011, 13, 3674-3677
1502374 CIFC18 H25 N O SP 618.3672; 8.3672; 41.378
90; 90; 120
2508.8Collett, Nathan D.; Carter, Rich G.
Stereoselective synthesis of the eastern quinolizidine portion of himeradine A.
Organic letters, 2011, 13, 4144-4147
1503415 CIFC22 H20 Br N O4P 6118.5358; 18.5358; 10.8967
90; 90; 120
3242.3Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou
Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.
Organic letters, 2010, 12, 776-779
1503484 CIFC21 H30 N2 O4P 6112.57; 12.57; 23.061
90; 90; 120
3155.6Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre
The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton.
Organic letters, 2012, 14, 58-61
1503592 CIFC23.5 H33 Cl I N O6P 6110.9498; 10.9498; 77.5761
90; 90; 120
8055.1Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R.
Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g.
Organic letters, 2012, 14, 756-759
1504885 CIFC25.5 H24 N2 O2.5P 6119.314; 19.314; 10.066
90; 90; 120
3251.9Yao, Pei-Yuan; Zhang, Yu; Hsung, Richard P.; Zhao, Kang
A sequential metal-catalyzed C-N bond formation in the synthesis of 2-amido-indoles.
Organic letters, 2008, 10, 4275-4278
1507884 CIFC46 H71 N3 O7P 6127.994; 27.994; 10.3401
90; 90; 120
7017.5Tanaka, Naonobu; Suto, Shohei; Ishiyama, Haruaki; Kubota, Takaaki; Yamano, Akihito; Shiro, Motoo; Fromont, Jane; Kobayashi, Jun'ichi
Halichonadins K and L, new dimeric sesquiterpenoids from a sponge Halichondria sp.
Organic letters, 2012, 14, 3498-3501
1513353 CIFC12 H19 Br N2 O3 ZnP 6115.9539; 15.9539; 14.7843
90; 90; 120
3258.9Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo
High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework.
Analytical chemistry, 2014, 86, 1277-1281
1514182 CIFC8 H16 N2 O3P 6114.4465; 14.4465; 10.0082
90; 90; 120
1808.89Altheimer, Benjamin D; Mehta, Manish A
Effects of structural differences on the NMR chemical shifts in isostructural dipeptides.
The journal of physical chemistry. A, 2014, 118, 2618-2628
1514222 CIFC29 H46 O3P 6126.574; 26.574; 6.5612
90; 90; 120
4012.62Gong, Jun; Sun, Peng; Jiang, Nan; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Gerwick, William H; Zhang, Wen
New Steroids with a Rearranged Skeleton as (h)P300 Inhibitors from the Sponge Theonella swinhoei.
Organic letters, 2014, 16, 2224-2227
1516077 CIFC21 H26 N2 O5P 618.268; 8.268; 48.704
90; 90; 120
2883.3Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.
The synthesis of melohenine B and a related natural product.
Organic letters, 2012, 14, 6166-6169
1517832 CIFAl2 S3P 616.438; 6.438; 17.898
90; 90; 120
642.4Krebs, Bernt; Schiemann, Anke; Lage, Mechtild
Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 983-988
1517833 CIFAl2 S3P 616.491; 6.491; 17.169
90; 90; 120
626.5Krebs, Bernt; Schiemann, Anke; Lage, Mechtild
Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 983-988
1527023 CIFGa1.2 In0.8 Se3P 616.843; 6.843; 19.35
90; 90; 120
784.702Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O.
X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2000, 62, 16549-16554
1527024 CIFGa0.8 In1.2 Se3P 616.985; 6.985; 18.99
90; 90; 120
802.395Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O.
X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2000, 62, 16549-16554
1530689 CIFC29 H49 Cl N2 O3 SP 6121.0551; 21.0551; 13.925
90; 90; 120
5346.1Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen
A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor
Organic Process Research & Development, 2015, 19, 1693
1530882 CIFGa2 S3P 616.385; 6.385; 18.04
90; 90; 120
636.926Tomas, A.; Guymont, M.; Pardo, M.P.; Guittard, M.; Famery, R.
Determination des structures des formes alpha and beta de Ga2 S3
Materials Research Bulletin, 1987, 22, 1549-1554
1536075 CIFH3 I Li2 O6P 615.297; 5.297; 27.596
90; 90; 120
670.559Jansen, M.; Kraft, T.
Li2H3IO6, eine neue Variante der Molybdaenitstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 53-57
1538362 CIFGa1.85 Mn0.23 S3P 616.397; 6.397; 18.027
90; 90; 120
638.862Nguyen, H.D.; Pardo, M.P.; Dogguy Smiri, L.
Contribution a l'etude du polymorphisme de Ga2 S3: structure cristalline de Mn.23 Ga1.85 S3
Materials Research Bulletin, 1982, 17, 293-300
1544313 CIF
HKL
Paper
C18 H30 N10 O3 Zn2P 619.2437; 9.2437; 47.683
90; 90; 120
3528.5Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho
Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]
IUCrData, 2016, 1, x161626
1544493 CIFC26 H40 O10P 6122.8955; 22.8955; 9.7127
90; 90; 120
4409.31Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong
Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.
Journal of natural products, 2016, 79, 2479-2486
1545971 CIFC33 H35 N OP 6121.1037; 21.1037; 10.4985
90; 90; 120
4049.3Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming
Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.
Organic letters, 2017, 19, 1520-1523
1546695 CIF
HKL
C18 H27 Cl2 N OP 6110.5372; 10.5372; 29.971
90; 90; 120
2881.92Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha
<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide
IUCrData, 2017, 2, x170492
1548954 CIFC31 H34 O4 SP 6121.247; 21.247; 11.2694
90; 90; 120
4405.8Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J
Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.
Chemical science, 2018, 9, 3305-3312
1549376 CIFC19 H13 Br F3 N O3 SP 6116.963; 16.963; 11.4256
90; 90; 120
2847.2Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.
Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.
Chemical science, 2018, 9, 4909-4918
1551076 CIFC35 H25 Br N2 O2P 6115.0667; 15.0667; 22.0098
90; 90; 120
4327Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling
Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles
Chemical Science, 2019
1552572 CIFC32 H39 F3 N O9P 6111.4676; 11.4676; 38.8463
90; 90; 120
4424.1Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin
Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.
Journal of natural products, 2019, 82, 2790-2799
1552608 CIFC60 H90 N2 O16P 6136.4492; 36.4492; 9.48811
90; 90; 120
10916.6Long, Yi; Tang, Ting; Wang, Li-Ying; He, Bin; Gao, Kun
Absolute Configuration and Biological Activities of Meroterpenoids from an Endophytic Fungus of <i>Lycium barbarum</i>.
Journal of natural products, 2019, 82, 2229-2237
1553867 CIFC23 H20 N O2P 6118.5578; 18.5578; 9.8682
90; 90; 120
2943.2Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng
Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols
Organic Chemistry Frontiers, 2017, 4, 2465
1555280 CIFC44 H71 N7 O12P 6127.637; 27.637; 11.845
90; 90; 120
7835Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.
γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.
Organic letters, 2015, 17, 4738-4741
1555742 CIFC15 H19 Cl2 N O2P 6114.6129; 14.6129; 14.5834
90; 90; 120
2696.88Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong
Asymmetric Total Synthesis of (-)-Lycospidine A.
Organic letters, 2016, 18, 4682-4685
1556984 CIFC25 H25 N5 O5P 6113.718; 13.718; 21.48
90; 90; 120
3500.6Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui
Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.
Journal of natural products, 2020, 83, 169-173
1559731 CIFC55.17 H44.33 N4 O P ZnP 6128.129; 28.129; 10.2773
90; 90; 120
7042.4Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak
A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.
Chemical science, 2020, 12, 1750-1755
1562339 CIFC40 H52 O11P 6110.56998; 10.56998; 56.6723
90; 90; 120
5483.4Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An
Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>.
Journal of natural products, 2021
1563273 CIFC36 H38 Cl Ir N4P 6126.9599; 26.9599; 11.349
90; 90; 120
7143.7Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming
An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation
Chemical Science, 2021
1564371 CIFC29 H65 N3 O13 P3 TbP 6117.031; 17.031; 23.5742
90; 90; 120
5921.7Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min
From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers
Chemical Science, 2021
1564868 CIFC9 H21 Mo N3 O S4P 618.673; 8.673; 36.26
90; 90; 120
2362Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng
Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes
Inorganica Chimica Acta, 2020, 507, 119599
1564960 CIFC34 H40 B Cu S4P 6110.7164; 10.7164; 47.139
90; 90; 120
4688.2Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried
Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.
Faraday discussions, 2022, 234, 70-85
1565106 CIFC28 H28 N2 O4 SP 6122.7073; 22.7073; 9.0908
90; 90; 120
4059.42Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K.
Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination
Chemical Science, 2021
1565712 CIFC26 H26 N4 O4 RuP 6110.6783; 10.6783; 37.8191
90; 90; 120
3734.62Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.
An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations
Inorganica Chimica Acta, 2020, 499, 119193
1565837 CIFC25 H20 O4P 6117.6742; 17.6742; 11.6231
90; 90; 120
3144.36Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming
Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade
Chemical Science, 2022, 13, 1163-1168
1566353 CIFC20 H31 F N2 O4P 6111.8419; 11.8419; 27.2204
90; 90; 120
3305.73Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.
Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction
Chemical Science, 2022
1566356 CIFC20 H32 N2 O4P 6111.84105; 11.84105; 27.02804
90; 90; 120
3281.9Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.
Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction
Chemical Science, 2022
1567984 CIFC22 H24P 6117.4778; 17.4778; 9.964
90; 90; 120
2635.95Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao
InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids
Chemical Science, 2022
2000520 CIF
Paper
C19 H26 Cl Cu N3 O7P 619.307; 9.307; 44.432
90; 90; 120
3333.1Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.
Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate
Acta Crystallographica Section C, 1992, 48, 1785-1788
2004268 CIF
Paper
C24 H40 Co N5 O4P 6112.017; 12.017; 32.942
90; 90; 120
4119.8Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.
The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State
Acta Crystallographica Section C, 1995, 51, 2522-2524
2004579 CIF
Paper
C30 H28 N4 Ni O5P 6112.942; 12.942; 29.326
90; 90; 120
4253.9Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.
Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)
Acta Crystallographica Section C, 1996, 52, 561-566
2005170 CIF
Paper
C8 H16 N2 O3P 6114.424; 14.424; 9.996
90; 90; 120
1801.1Görbitz, C. H.; Gundersen, E.
<small>L</small>-Valyl-<small>L</small>-alanine
Acta Crystallographica Section C, 1996, 52, 1764-1767
2005376 CIF
Paper
C26 H36 O9P 6117.172; 17.172; 14.965
90; 90; 120
3822Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.
21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate
Acta Crystallographica Section C, 1996, 52, 2288-2290
2009721 CIF
Paper
C21 H30 O2P 6121.938; 21.938; 6.87
90; 90; 120
2863.4Puliti, R.; De Rosa, S.; Mattia, C. A.
Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i>
Acta Crystallographica Section C, 1994, 50, 830-833
2013579 CIF
HKL
Paper
C8 H16 N2 O3 SP 6137.6488; 37.6488; 9.6613
90; 90; 120
11859.6Görbitz, Carl Henrik
<small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7
Acta Crystallographica Section C, 2003, 59, o589-o592
2015632 CIF
HKL
Paper
C5 H8 Co N2 O8.72P 6113.4646; 13.4646; 9.8777
90; 90; 120
1550.9Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali
<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]
Acta Crystallographica Section C, 2006, 62, m513-m515
2018557 CIF
HKL
Paper
C22 H28 O8P 6118.2223; 18.2223; 11.2387
90; 90; 120
3231.9Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe
Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)
Acta Crystallographica Section C, 2012, 68, o320-o322
2019777 CIF
HKL
Paper
C11 H13 N3 OP 617.4519; 7.4519; 31.8705
90; 90; 120
1532.69Mnguni, Malitsatsi J.; Lemmerer, Andreas
A structural study of 4-aminoantipyrine and six of its Schiff base derivatives
Acta Crystallographica Section C, 2015, 71
2019896 CIF
HKL
Paper
C16 H15.5 Cd2 N12 O5.75P 6113.3384; 13.3384; 24.957
90; 90; 120
3845.3Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang
A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains
Acta Crystallographica Section C, 2015, 71
2021264 CIF
HKL
Paper
C36 H25 Eu N6 O14P 6114.981; 14.981; 27.897
90; 90; 120
5422Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021266 CIF
HKL
Paper
C36 H25 Gd N6 O14P 6114.9709; 14.9709; 27.952
90; 90; 120
5425.5Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021268 CIF
HKL
Paper
C36 H25 Dy N6 O14P 6114.9066; 14.9066; 27.948
90; 90; 120
5378.2Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021270 CIF
HKL
Paper
C36 H25 N6 O14 TbP 6114.962; 14.962; 27.974
90; 90; 120
5423.3Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2100579 CIF
Paper
C15 H18 O6P 6111.3588; 11.3588; 20.2725
90; 90; 120
2265.18Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100990 CIF
Paper
C4 H12 Br3 Cd NP 619.219; 9.219; 20.86
90; 90; 120
1535.4Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.
X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)
Acta Crystallographica Section B, 1993, 49, 691-698
2102921 CIF
Paper
B2 H8 MgP 6110.3414; 10.3414; 37.086
90; 90; 120
3434.8Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~
Acta Crystallographica Section B, 2007, 63, 561-568
2103452 CIF
HKL
Paper
C8.7 H17.05 N2.35 O3P 6114.1635; 14.1635; 9.8702
90; 90; 120
1714.74Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103453 CIF
HKL
Paper
C8 H16 N2 O3P 6114.2957; 14.2957; 9.9077
90; 90; 120
1753.53Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103454 CIF
HKL
Paper
C10 H16 N2 O3P 6114.3102; 14.3102; 9.8997
90; 90; 120
1755.7Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103455 CIF
HKL
Paper
C8.51 H15.6 N2 O3.44P 6128.7247; 28.7247; 9.9009
90; 90; 120
7074.8Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2105528 CIF
Paper
C24 H39 N O3P 6114.564; 14.564; 20.282
90; 90; 120
3725.7Maurin, J. K.
Oxime‒Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes'
Acta Crystallographica Section B, 1998, 54, 866-871
2105591 CIF
Paper
C32 H36 N2 Ni O8P 6118.498; 18.498; 16.328
90; 90; 120
4838.5Główka, M. L.; Olczak, A.; Karolak-Wojciechowska, J.; Ciechanowska-Urbańska, E.
Classification and Distortion in Six-Coordinate Bis(salicylaldiminato)nickel(II) Complexes: Crystal Structure of Bis[2-[[(2-hydroxyphenyl)methylene]amino]-1-phenyl-1,3-propanediolato]nickel(II).2H~2~O
Acta Crystallographica Section B, 1998, 54, 250-256
2106212 CIFC4 H2 Cs2 N4 O PtP 619.709; 9.709; 19.343
90; 90; 120
1579.08Johnson, P.L.; Koch, T.R.; Williams, J.M.
Structural studies of precursor and partially oxidized conducting complexes. VI. A neutron diffraction study of dicesium tetracyano-platinate(II) monohydrate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1293-1295
2106380 CIFIn2 Se3P 617.11; 7.11; 19.34
90; 90; 120
846.694Likforman, A.; Hillel, R.; Carre, D.
Structure cristalline du seleniure d'indium In2 Se3
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1-5
2107320 CIFBa H2 N2 O5P 617.07; 7.07; 17.886
90; 90; 120
774.253Thomas, P.A.; Gomez, E.
Absolute chirality and crystal structure of barium nitrite monohydrate, Ba (N O2)2 (H2 O)
Acta Crystallographica B (39,1983-), 1989, 45, 348-355
2201003 CIF
HKL
Paper
C19 H17 Cl N2 O3P 6111.075; 11.075; 24.4
90; 90; 120
2592Višnjevac, Aleksandar; Avdagić, Amir; Kojić-Prodić, Biserka
3(<i>S</i>)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2<i>H</i>-1,4-benzodiazepin-2-one
Acta Crystallographica Section E, 2002, 58, o148-o150
2209906 CIF
HKL
Paper
C16 H30 O5P 619.9315; 9.9315; 29.113
90; 90; 120
2486.8Xiao-Lan Wang; Shu-Lin Peng; Jian Liang; Kai-Bei Yu
(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol methanol solvate: a new sesquiterpenoid from <i>Chrysanthemum indicum</i> L.
Acta Crystallographica Section E, 2006, 62, o3570-o3571
2212583 CIF
HKL
Paper
C16 H17 Cl O2 SnP 6110.8105; 10.8105; 25.8402
90; 90; 120
2615.28Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng
A hexagonal modification of <i>catena</i>-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2007, 63, m913-m914
2214505 CIF
HKL
Paper
C10 H18 N2 O9 S ZnP 6111.4275; 11.4275; 20.9322
90; 90; 120
2367.27Ng, Seik Weng
A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Acta Crystallographica Section E, 2007, 63, m2225-m2226
2214614 CIF
HKL
Paper
C19 H22 I NP 619.773; 9.773; 32.63
90; 90; 120
2699Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis
(3<i>R</i>,4<i>S</i>)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide
Acta Crystallographica Section E, 2007, 63, o3355-o3355
2216482 CIF
HKL
Paper
C18 H14 I N O4P 6110.1246; 10.1246; 29.528
90; 90; 120
2621.3Wu, Zhou; Shen, Peng; Jiang, Shende
(<i>S</i>)-Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate
Acta Crystallographica Section E, 2007, 63, o4871-o4871
2226088 CIF
HKL
Paper
C35 H42 O14P 6117.7635; 17.7635; 19.6294
90; 90; 120
5364.1Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha
Xyloccensin E
Acta Crystallographica Section E, 2010, 66, o1348-o1349
2228742 CIF
HKL
Paper
C18 H20 N2 OP 6110.1838; 10.1838; 25.965
90; 90; 120
2332.1Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M.
(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Acta Crystallographica Section E, 2011, 67, o67
2229228 CIF
HKL
Paper
C28 H24 N4 O4P 6120.753; 20.753; 10.446
90; 90; 120
3896.2Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías
1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
Acta Crystallographica Section E, 2011, 67, o308-o309
2230280 CIF
HKL
Paper
C13 H21 N O8P 6113.2581; 13.2581; 16.462
90; 90; 120
2506Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin
1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-<small>D</small>-allofuranose
Acta Crystallographica Section E, 2011, 67, o1402
2231406 CIF
HKL
Paper
C50 H70 Br2 Cu3 N10 O6P 6118.745; 18.745; 28.2531
90; 90; 120
8597.4Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma
μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate
Acta Crystallographica Section E, 2011, 67, m1197-m1198
2233368 CIF
HKL
Paper
C3 H4 N2 O2 SP 6111.924; 11.924; 20.111
90; 90; 120
2476.3Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju
5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2012, 68, o475
2234816 CIF
HKL
Paper
C15.33 H21.67 N OP 6116.9133; 16.9133; 8.4451
90; 90; 120
2092.15Berger, Matthias; Bats, Jan W.; Auner, Norbert
<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate
Acta Crystallographica Section E, 2012, 68, o1565
2237708 CIF
HKL
Paper
C14 H16 Cl N O2P 6117.075; 17.075; 9.4536
90; 90; 120
2387Jin, Xiu-Dan; Wu, Jin-Long
2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide
Acta Crystallographica Section E, 2013, 69, o505
2238695 CIF
Paper
C7 H13 N OP 616.2076; 6.2076; 29.8731
90; 90; 120
996.92Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle
(<i>R</i>)-({-})-Quinuclidin-3-ol
Acta Crystallographica Section E, 2013, 69, o1672
2240190 CIF
HKL
C14 H13 Cl N2 O2 SP 6110.8907; 10.8907; 21.4542
90; 90; 120
2203.71Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.
Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph
Acta Crystallographica Section E, 2014, 70, o1250-o1251
3000010 CIFK4 O7 P2P 6110.21145; 10.21145; 42.6958
90; 90; 120
3855.59Armel Le Bail; Thomas Hansen; Wilson A. Crichton
Tetrapotassium pyrophosphates gamma and delta-K4P2O7
Powder Diffraction, 2013, 28, 2-12
4000975 CIFC11 H44 In6 N11 Te9P 6111.6147; 11.6147; 51.9135
90; 90; 120
6064.9Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.
A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation
Chemistry of Materials, 2009, 21, 12
4020882 CIFC42 H42 O9P 6116.367; 16.367; 23.64
90; 90; 120
5483.9Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié
Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles
Journal of Organic Chemistry, 2004, 69, 2526-2531
4021070 CIFC44 H34 Co F6 N O3 PdP 6111.4413; 11.4413; 50.149
90; 90; 120
5685.2Stefan F. Kirsch; Larry E. Overman; Mary P. Watson
Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates
Journal of Organic Chemistry, 2004, 69, 8101-8104
4021497 CIFC14 H25 Cl OP 6112.447; 12.447; 49.29
90; 90; 120
6613R. Brandon Miles; Chad E. Davis; Robert M. Coates
Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids
Journal of Organic Chemistry, 2006, 71, 1493-1501
4023244 CIFC23 H22 N4P 618.9977; 8.9977; 40.312
90; 90; 120
2826.4Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity
Investigation of a Flexible Enantiospecific Approach to Aziridines
Journal of Organic Chemistry, 2008, 73, 1128-1130
4027637 CIFC40 H42 Br N O7 SiP 6126.146; 26.146; 9.7191
90; 90; 120
5754Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard
Total Synthesis of Pactamycin and Pactamycate: A Detailed Account
Journal of Organic Chemistry, 2012, 77, 9458-9472
4030770 CIFC27 H22 Br N O6P 618.5221; 8.5221; 57.101
90; 90; 120
3591.4Peris, Gorka; Vedejs, Edwin
Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.
The Journal of organic chemistry, 2015, 80, 3050-3057
4030984 CIFC14 H17 F3 N2 O2P 6115.74885; 15.74885; 11.05787
90; 90; 120
2375.2Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.
Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.
The Journal of organic chemistry, 2015, 80, 5415-5427
4033666 CIFC25.75 H30 OP 6123.9466; 23.9466; 6.5821
90; 90; 120
3268.8Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher
Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.
The Journal of organic chemistry, 2019

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