Crystallography Open Database

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1535491 CIFCs H5 O3P c a 2113.238; 6.747; 9.121
90; 90; 90		814.658Mootz, D.; Ruetter, H.
Hydrate schwacher und starker Basen. VII: Zum System Caesiumhydroxid-Wasser: Die Kristallstrukturen von CsOH*2H2O und CsOH*3H2O
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 608, 123-130
1535664 CIFF6 H8 N2 ZrP c a 2113.396; 7.728; 11.669
90; 90; 90		1208.03Bukvetskii, B.V.; Davidovich, R.L.; Gerasimenko, A.V.
Crystal structures of ammonium fluorozirconates N H4 Zr F5 * 0.75 H2 O and (N H4)2 Zr F6
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1991, 17, 35-43
1536108 CIFAs2 Ba2 S5P c a 2117.345; 9.256; 11.946
90; 90; 90		1917.87Cordier, G.; Schwidetzky, C.; Schaefer, H.
Darstellung und Struktur von Ba2 As2 S5
Revue de Chimie Minerale, 1983, 20, 877-883
1536435 CIFCl11 Mo3 N2P c a 2112.5605; 10.0189; 13.301
90; 90; 90		1673.83Dinh, Q.T.; Richter, M.; Straehle, J.; Niquet, E.
Synthese und Struktur von Mo2 N Cl8 und Mo3 N2 Cl11
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1921-1924
1536487 CIFCe6 O21 Si6P c a 2123.422; 7.196; 10.082
90; 90; 90		1699.27Kepinski, L.; Wocyrz, M.; Marchewka, M.
Structure evolution of nanocrystalline Ce O2 supported on silica: effect of temperature and atmosphere
Journal of Solid State Chemistry, 2002, 168, 110-118
1536525 CIFC0.96 Mo1.93P c a 216.022; 4.725; 5.195
90; 90; 90		147.818Khaenko, B.V.; Gnitetskii, O.A.; Kublii, V.Z.
Structure of ordered carbide beta'-Mo2 C: results of single crystal diffraction study.
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki, 1991, 1991, 78-82
1537571 CIFH8 K2 O15 P4P c a 219.364; 7.458; 19.56
90; 90; 90		1366.01Larbot, A.; Norbert, A.; Durand, J.
Sur l'Existence d'un Intermediaire Reactionnel Entre Phosphate et Pyrophosphate Acide de Potassium: Cas de K2 H8 (P O4)2 P2 O7
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1982, 486, 200-206
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
1540603 CIFC15 H12 B N3 OP c a 217.6982; 5.5273; 29.041
90; 90; 90		1235.7Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.
Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.
Organic letters, 2015, 17, 5594-5597
1540620 CIFC30 H26 O3 SP c a 2116.1272; 8.2497; 17.782
90; 90; 90		2365.8Chang, Meng-Yang; Cheng, Yu-Chieh
Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.
Organic letters, 2015, 17, 5702-5705
1541213 CIFCs2 N12 ZnP c a 2121.88; 6.762; 7.426
90; 90; 90		1098.7Mautner, F.A.; Krischner, H.
Verfeinerung der Kristallstruktur des Dicaesium-TetraazidoZinkates Cs2Zn(N3) und die Kristallstrukturen komplexer Zinkazide.
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1990, 121, 91-97
1541748 CIFBa2 N5 O10 TlP c a 2117.868; 4.934; 13.426
90; 90; 90		1183.65Gasparri, G.F.; Nardelli, M.; Fermi, F.
Structural research on non-transition metal double nitrites. Crystal structure, optical absorption and emission of Tl Ba2 (N O2)5
Proceedings of the Indian Academy of Sciences, Serie: Chem. Sci., 1984, 93, 283-293
1541761 CIFIn2 S8 Sn2P c a 2113.379; 16.943; 25.973
90; 90; 90		5887.57Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun
Microporous and photoluminescent chalcogenide zeolite analogs
Science, 2002, 298, 2366-2369
1541858 CIFCd N2 O6P c a 217.5073; 15.3692; 7.5073
90; 90; 90		866.201Louer, M.; Louer, D.; Grandjean, D.
Structure cristalline et polymorphisme du nitrate de cadmium anhydre
Journal of Solid State Chemistry, 1976, 17, 231-237
1541913 CIFC14 H25 N O5 S SiP c a 2116.204; 10.0147; 11.186
90; 90; 90		1815.2Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.
Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.
Organic letters, 2016, 18, 284-287
1542534 CIFC19 H18 N2 O3P c a 2118.7959; 22.7469; 8.0182
90; 90; 90		3428.17Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido
3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation.
Organic letters, 2016, 18, 1206
1542900 CIF
HKL
Paper		C12 H12 OP c a 219.8022; 14.9047; 12.643
90; 90; 90		1847.13Garozzo, Lee Ann; Nazarenko, Alexander Y.
2-(Naphthalen-1-yl)ethanol
IUCrData, 2016, 1, x160423
1542935 CIF
HKL
Paper		C22 H20 Cl2 N2 OP c a 2120.9334; 10.2009; 9.0493
90; 90; 90		1932.4Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri
1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone
IUCrData, 2016, 1, x160474
1543045 CIFC14 H12 N4 O2P c a 2129.815; 4.718; 8.617
90; 90; 90		1212.1Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar
The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity.
Journal of natural products, 2016, 79, 1219-1222
1543054 CIF
HKL		C6 H12 O6P c a 2111.8577; 7.01486; 8.68032
90; 90; 90		722.03Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
On the correlation between hydrogen bonding and melting points in the inositols
IUCrJ, 2013, 1, 61-73
1543216 CIFC24 H27 N O7P c a 2122.7748; 6.0842; 16.1449
90; 90; 90		2237.1El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543398 CIFC16 H13 N3 OP c a 2119.0121; 4.9106; 14.288
90; 90; 90		1333.94Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng
BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines.
Organic letters, 2016, 18, 2890-2893
1543536 CIF
HKL
Paper		C14 H11 N3 O2P c a 2133.4769; 7.4977; 9.7916
90; 90; 90		2457.69Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole
IUCrData, 2016, 1, x160961
1543610 CIFC36 H52 Cl2 Cu N4 O8P c a 2117.109; 15.7941; 13.2947
90; 90; 90		3592.51Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim
Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex
Inorganica Chimica Acta, 2014, 315-319
1543828 CIFC26 H22 N2 O2P c a 2119.3078; 10.3786; 20.7335
90; 90; 90		4154.7Zhang, Jianbo; Han, Xiuling; Lu, Xiyan
Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles.
Organic letters, 2016, 18, 2898-2901
1544042 CIFC24 H33 Ca2 N3 O12 S2P c a 2122.6505; 11.2352; 12.7961
90; 90; 90		3256.39Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun
A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection
Chem. Sci., 2016, 7, 5983
1544163 CIFC16 H18 O6P c a 2111.97; 16; 8.19
90; 90; 90		1568.5Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong
Total Synthesis and Structural Reassignment of (±)-Cereoanhydride.
Organic letters, 2016, 18, 4958-4961
1544205 CIFC17 H13 N3 O2P c a 2113.283; 13.585; 7.6811
90; 90; 90		1386.1Serra, Jordi; Parella, Teodor; Ribas, Xavi
Au(iii)-aryl intermediates in oxidant-free C–N and C–O cross-coupling catalysis
Chem. Sci., 2017, 8, 946
1544751 CIFC35 H53 Fe N2 P3 SiP c a 2117.8087; 11.3207; 17.3127
90; 90; 90		3490.36Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544761 CIFC142 H160 Er5 F90 N47 O100 S30P c a 2117.2096; 31.3584; 50.5444
90; 90; 90		27277.1Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.
Breaking the paradigm: record quindecim charged magnetic ionic liquids
Mater. Horiz., 2017, 4, 217
1544939 CIFC32 H41 N O7 S SiP c a 2125.6854; 8.0217; 15.3789
90; 90; 90		3168.68Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.
Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.
Organic letters, 2017, 19, 162-165
1544991 CIFC18 H17 F3 O2 S2P c a 2111.2567; 11.6409; 27.0758
90; 90; 90		3548Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu
Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes
Chem. Sci., 2017, 8, 2610
1545019 CIF
HKL
Paper		C14 H14 N2 OP c a 2123.44; 4.6307; 10.6408
90; 90; 90		1155Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.
(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol
IUCrData, 2017, 2, x162009
1545429 CIFC21 H20 O3P c a 2111.8946; 18.6719; 7.5647
90; 90; 90		1680.1Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun
Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones.
Organic letters, 2017, 19, 1248-1251
1545435 CIFC13 H17 N O3P c a 2116.7256; 12.4161; 25.1262
90; 90; 90		5217.9Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M.
Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives.
Organic letters, 2017, 19, 988-991
1545733 CIFC20 H29 Fe N O3P c a 2115.0303; 10.4122; 12.7073
90; 90; 90		1988.67Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.
Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation
Chem. Sci., 2017
1545745 CIFC20 H19 N O2 SP c a 2115.6695; 5.5971; 39.2584
90; 90; 90		3443.1Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit
An Organic Intermolecular Dehydrogenative Annulation Reaction.
Organic letters, 2017, 19, 2006-2009
1545937 CIFC16 H23 N3P c a 2110.4082; 7.7785; 19.6994
90; 90; 90		1594.87Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay
Synthesis and Reactivity of 1-Allenyltriazenes.
Organic letters, 2017, 19, 2070-2073
1546093 CIFC15 H10 O2P c a 2124.2286; 5.6429; 7.6125
90; 90; 90		1040.78Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin
Aggregation of an n–π* Molecule Induces Fluorescence Turn-on
The Journal of Physical Chemistry C, 2017, 121, 11907
1546237 CIFC28 H25 N O4P c a 2114.8441; 10.42006; 14.7439
90; 90; 90		2280.53Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An
Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.
Organic letters, 2017, 19, 2965-2968
1546421 CIFC23 H23 N5 O8 SP c a 2131.325; 4.708; 15.8478
90; 90; 90		2337.2Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L.
Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines.
Organic letters, 2017, 19, 3568-3571
1546539 CIFC18 H21 N O SP c a 2116.9235; 9.5861; 9.9959
90; 90; 90		1621.6Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka
Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N–O Bond
Macromolecules, 2017, 50, 5301
1546634 CIF
HKL
Paper		C33 H27 N O2P c a 2117.5297; 12.1853; 12.0781
90; 90; 90		2579.94Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.
3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione
IUCrData, 2017, 2, x170581
1546655 CIF
HKL
Paper		C19 H19 N3P c a 2114.054; 11.2639; 9.6184
90; 90; 90		1522.62González, Gerardo García; Unnamatla, M. V. Basavanag
9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline
IUCrData, 2017, 2, x170445
1546705 CIF
HKL
Paper		C19 H16 O3 SP c a 2133.2932; 7.9284; 5.7903
90; 90; 90		1528.42Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz
Biphenyl-4-yl 4-methylbenzenesulfonate
IUCrData, 2017, 2, x170982
1547054 CIFC11 H16 N2 O2P c a 2124.608; 7.147; 12.285
90; 90; 90		2160.6Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline
Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.
Organic letters, 2017, 19, 4464-4467
1547085 CIFC52 H50 N2 O4 SiP c a 2120.8; 13.066; 16.207
90; 90; 90		4404.6Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui
Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.
Organic letters, 2017, 19, 4331-4334
1547240 CIFC13 H14 F N OP c a 2111.246; 17.285; 11.864
90; 90; 90		2306.2Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi
Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.
Organic letters, 2017, 19, 5300-5303
1547584 CIFC19 H20 N2 OP c a 2113.7527; 9.8191; 22.826
90; 90; 90		3082.4Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin
Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.
Organic letters, 2017, 19, 4880-4883
1547700 CIFC17 H20 F2 O2P c a 219.8218; 12.5329; 12.4155
90; 90; 90		1528.3Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi
Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.
Organic letters, 2017, 19, 5900-5903

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