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

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