Crystallography Open Database

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1530755 CIFB5 H2 Li3 O10P 41 21 26.848; 6.848; 14.564
90; 90; 90
682.98Sheviren, A.A.; Muradyan, L.A.; Egorov-Tismenko, Yu.K.; Simonov, V.I.; Simonov, M.A.; Belov, N.V.
The deformation electronic density in lithium borate Li3 B5 O8 (O H)2
Doklady Akademii Nauk SSSR, 1981, 257, 111-114
1530871 CIFO2 TeP 41 21 24.8082; 4.8082; 7.612
90; 90; 90
175.98Thomas, P.A.
The crystal structure and absolute optical chirality of paratellurite, alpha-Te O2
Journal of Physics C, 1988, 21, 4611-4627
1531836 CIFGd1.9 Si4 Ti3P 41 21 26.997; 6.997; 12.878
90; 90; 90
630.481Morozkin, A.V.; Welter, R.
New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)
Journal of Alloys Compd., 2003, 348, L1-L3
1531839 CIFSi4 Tb2 Ti3P 41 21 27.006; 7.006; 12.875
90; 90; 90
631.957Morozkin, A.V.; Welter, R.
New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)
Journal of Alloys Compd., 2003, 348, L1-L3
1531842 CIFDy2 Si4 Ti3P 41 21 26.977; 6.977; 12.814
90; 90; 90
623.767Morozkin, A.V.; Welter, R.
New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)
Journal of Alloys Compd., 2003, 348, L1-L3
1531845 CIFHo2 Si4 Ti3P 41 21 26.97; 6.97; 12.793
90; 90; 90
621.495Morozkin, A.V.; Welter, R.
New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)
Journal of Alloys Compd., 2003, 348, L1-L3
1531848 CIFEr2 Si4 Ti3P 41 21 26.964; 6.964; 12.776
90; 90; 90
619.601Morozkin, A.V.; Welter, R.
New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)
Journal of Alloys Compd., 2003, 348, L1-L3
1532392 CIFLa5 Si4P 41 21 28.0467; 8.0467; 15.4476
90; 90; 90
1000.22Yang, H.F.; Rao, G.-H.; Chu, W.G.; Liu, G.Y.; Ouyang, Z.W.; Liang, J.K.
The crystal structure of La5 Si4 and Nd5 Si4
Journal of Alloys Compd., 2002, 334, 131-134
1532393 CIFNd5 Si4P 41 21 27.8694; 7.8694; 14.8077
90; 90; 90
917.003Yang, H.F.; Rao, G.-H.; Ouyang, Z.W.; Chu, W.G.; Liu, G.Y.; Liang, J.K.
The crystal structure of La5 Si4 and Nd5 Si4
Journal of Alloys Compd., 2002, 334, 131-134
1532399 CIFGe1.2 Nd5 Si2.8P 41 21 27.9068; 7.9068; 14.7907
90; 90; 90
924.677Yang, H.F.; Ouyang, Z.W.; Rao, G.-H.; Chu, W.G.; Liu, G.Y.; Liu, W.F.; Feng, X.M.; Liang, J.K.
Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K
Journal of Alloys Compd., 2003, 348, 150-156
1532400 CIFGe2 Nd5 Si2P 41 21 27.9304; 7.9304; 14.7661
90; 90; 90
928.658Yang, H.F.; Rao, G.-H.; Liu, W.F.; Liu, G.Y.; Liang, J.K.; Ouyang, Z.W.; Feng, X.M.; Chu, W.G.
Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K
Journal of Alloys Compd., 2003, 348, 150-156
1532401 CIFGe2 Pr5 Si2P 41 21 27.9725; 7.9725; 14.8855
90; 90; 90
946.134Yang, H.F.; Rao, G.-H.; Liu, W.F.; Ouyang, Z.W.; Liu, G.Y.; Chu, W.G.; Liang, J.K.; Feng, X.M.
Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K
Journal of Alloys Compd., 2003, 348, 150-156
1532843 CIFCl H Na O7 P2 ZnP 41 21 27.687; 7.687; 20.529
90; 90; 90
1213.06Mahendra, M.; Doreswamy, B.H.; Madhu, S.P.; Sridhar, M.A.; Gopalakrishnan, G.S.; Prasad, J.S.; Ashamanjari, K.G.
Hydrothermal synthesis, crystal structure and characterisation of Na2 Zn P2 O7 * (H Cl)
Materials Research Bulletin, 2003, 38, 1309-1317
1533249 CIFPr5 Si4P 41 21 27.9092; 7.9092; 14.9437
90; 90; 90
934.81Yang, H.F.; Rao, G.H.; Chu, W.G.; Liu, G.Y.; Ouyang, Z.W.; Liu, W.F.; Feng, X.M.; Liang, J.K.
Crystal structure and magnetic properties of Pr5 Si4-x Gex compounds
Journal of Magnetism and Magnetic Materials, 2003, 263, 146-153
1535790 CIFCd0.5 O7 Sr1.5 V2P 41 21 27.057; 7.057; 25.566
90; 90; 90
1273.22Murashova, E.V.; Velikodnyi, Yu.A.; Ilyukhin, A.B.; Zhuravlev, V.D.
Crystal structures of Sr1.58Ca0.42V2O7 and Sr1.5Cd0.5V2O7 and the features of their isomorphism
Zhurnal Neorganicheskoi Khimii, 1993, 38, 428-431
1536432 CIFGe2 Lu2 O7P 41 21 26.702; 6.702; 12.175
90; 90; 90
546.862Palkina, K.K.; Kuz'mina, N.E.; Dzhurinskii, B.F.
Lutetium digermanate Lu2 Ge2 O7
Zhurnal Neorganicheskoi Khimii, 1995, 40, 1449-1451
1537586 CIFO2 TeP 41 21 24.8122; 4.8122; 7.6157
90; 90; 90
176.359Lindqvist, O.
Refinement of the structure of alpha-Te O2
Acta Chemica Scandinavica (1-27,1973-42,1988), 1968, 22, 977-982
1541180 CIFC2 H3 Ca0.93 Gd0.1 O8 Y0.97P 41 21 27.434; 7.434; 21.793
90; 90; 90
1204.38Romming, C.; Petricek, V.; Kocharian, A.K.; Raade, G.; Bailey, S.W.
The crystal structure of kamphaugite-(Y)
European Journal of Mineralogy (1,1989-), 1993, 5, 685-690
1542314 CIFC29 H38 O8P 41 21 215.0258; 15.0258; 24.0607
90; 90; 90
5432.3Chen, Chien-Chih; Tzeng, Tsai-Teng; Chen, Chin-Chu; Ni, Ching-Li; Lee, Li-Ya; Chen, Wan-Ping; Shiao, Young-Ji; Shen, Chien-Chang
Erinacine S, a Rare Sesterterpene from the Mycelia of Hericium erinaceus.
Journal of natural products, 2016, 79, 438-441
1543021 CIFC19 H18 O5P 41 21 28.2087; 8.2087; 44.2189
90; 90; 90
2979.59Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min
Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.
Organic letters, 2016, 18, 1880-1883
1544178 CIFC35 H35 Co2 N5 O9P 41 21 210.848; 10.848; 29.771
90; 90; 90
3503.4Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.
Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs
RSC Advances, 2016, 6, 93707-93714
1544766 CIF
HKL
Paper
C13 H13 Br N2 O3P 41 21 28.6944; 8.6944; 35.2843
90; 90; 90
2667.23Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul
2-Amino-5-bromopyridinium 2-phenoxyacetate
IUCrData, 2016, 1, x161939
1544903 CIFC29 H31 N3 O3 PdP 41 21 29.1556; 9.1556; 66.051
90; 90; 90
5536.7Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang
A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water
Polym. Chem., 2017, 8, 1217
1545136 CIFC11 H6 Br F3 O3 SP 41 21 213.9189; 13.9189; 12.9169
90; 90; 90
2502.47Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.
Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.
Organic letters, 2017, 19, 638-641
1545497 CIF
HKL
Paper
C6 H11 N O6P 41 21 27.5446; 7.5446; 27.6498
90; 90; 90
1573.85Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid
Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)
IUCrData, 2017, 2, x170249
1545726 CIFC34 H58 Fe2 N2P 41 21 28.9474; 8.9474; 41.253
90; 90; 90
3302.5Reiners, 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
1547856 CIFC19 H22 N2 O2P 41 21 29.69345; 9.69345; 32.9728
90; 90; 90
3098.22Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok
Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.
Journal of natural products, 2017, 80, 3014-3024
1548479 CIFC14 H23 N O3P 41 21 212.8285; 12.8285; 18.0935
90; 90; 90
2977.7Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1548493 CIFC3 H4 Br Cl0 O2 PbP 41 21 29.0035; 9.0035; 14.39
90; 90; 90
1166.5Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan
Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.
Chemical science, 2018, 9, 1627-1633
1548495 CIFC3 H4 Br O2 PbP 41 21 28.9917; 8.9917; 14.354
90; 90; 90
1160.5Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan
Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.
Chemical science, 2018, 9, 1627-1633
1550971 CIFC46.03 H70.75 B2 N5 ZnP 41 21 216.163; 16.163; 16.4362
90; 90; 90
4293.8Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.
Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides
Chemical Science, 2019
1551372 CIFC28 H42 N7 O6.5P 41 21 210.4819; 10.4819; 57.62
90; 90; 90
6330.7John R. Frost; Conor C. G. Scully; Andrei K. Yudin
Oxadiazole grafts in peptide macrocycles
Nature Chemistry, 2016, 8, 1105-1111
1552252 CIFC63 H65 B F24 Ir N P2P 41 21 213.4206; 13.4206; 35.17
90; 90; 90
6334.6Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden
Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes
Chemical Science, 2019
1552696 CIFC41 H64 O9P 41 21 211.05762; 11.05762; 32.17474
90; 90; 90
3934.04Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.
Journal of natural products, 2019, 82, 1923-1929
1553575 CIFC153.47 H187.47 Cl4.41 N2 Si8P 41 21 221.2715; 21.2715; 64.3247
90; 90; 90
29105.4Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi
Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties
Organic Chemistry Frontiers, 2017, 4, 664
1554043 CIFC45.5 Cl6 Eu P3P 41 21 216.5192; 16.5192; 46.471
90; 90; 90
12681.2Alvarez-Vicente, Jorge; Dandil, Sahra; Banerjee, Dipanjan; Gunaratne, H. Q. Nimal; Gray, Suzanne; Felton, Solveig; Srinivasan, Geetha; Kaczmarek, Anna M.; Van Deun, Rik; Nockemann, Peter
Easily Accessible Rare-Earth-Containing Phosphonium Room-Temperature Ionic Liquids: EXAFS, Luminescence, and Magnetic Properties.
The journal of physical chemistry. B, 2016, 120, 5301-5311
1554096 CIFC26 H23 Br N2 O4P 41 21 211.3983; 11.3983; 36.807
90; 90; 90
4782Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin
Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers
The Journal of Physical Chemistry C, 2017, 121, 25503
1554335 CIFC34 H35 Cl2 Fe N3 O4P 41 21 212.0535; 12.0535; 43.8649
90; 90; 90
6373Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu
Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors
Organic Chemistry Frontiers, 2018, 5, 2229
1554748 CIFC40 H34 I3 N3P 41 21 213.41045; 13.41045; 40.0935
90; 90; 90
7210.42Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.
Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands
Organic Chemistry Frontiers, 2019, 6, 1226
1555952 CIFC14 H16 Cl4 O4P 41 21 29.2923; 9.2923; 38.5
90; 90; 90
3324.4Sarkar, Rahul; Mukherjee, Santanu
Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp<sup>2</sup>)-H Alkylation.
Organic letters, 2016, 18, 6160-6163
1556333 CIFC54 H84 B Cl2 F4 P6 Rh3P 41 21 214.483; 14.483; 58.042
90; 90; 90
12175Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef
Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis
Catal. Sci. Technol., 2013, 3, 462
1556343 CIFC80 H102 Al Cl N4 O6 S2P 41 21 213.6143; 13.6143; 38.6616
90; 90; 90
7165.9Ternel, Jérémy; Roussel, Pascal; Agbossou-Niedercorn, Francine; Gauvin, Régis M.
Dismantling the salen framework: design of new asymmetric silylcyanation catalysts
Catal. Sci. Technol., 2013, 3, 580
1556346 CIFC6 H14 N4 O6 SP 41 21 27.9553; 7.9553; 18.7605
90; 90; 90
1187.29Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav
Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal‒organic materials
Chemical Science, 2012, 3, 2495
1556894 CIFC5 H5 NP 41 21 25.4053; 5.4053; 13.4853
90; 90; 90
394Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon
High-pressure polymorphism in pyridine
IUCrJ, 2020, 7, 58-70
1558031 CIFC13 H14 N4 OP 41 21 27.749; 7.749; 22.032
90; 90; 90
1322.96Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.
Observations of tetrel bonding between sp3-carbon and THF
Chemical Science, 2020, 11, 5289-5293
1558665 CIFC54 H65 N6 O5P 41 21 215.3125; 15.3125; 23.868
90; 90; 90
5596.39Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent
Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps
Chemical Science, 2020
1558833 CIFC15 H21 Ag F6 O2 P4 Sb TaP 41 21 219.22628; 19.22628; 26.5819
90; 90; 90
9826Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin
Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies
Chemical Science, 2020
1558919 CIFC12 H12 O2 S2P 41 21 26.927; 6.927; 25.0785
90; 90; 90
1203.3Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy
Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers
Acta Chemica Scandinavica, 1993, 47, 184-190
1559865 CIF
HKL
Paper
C21 H22 O2P 41 21 29.5637; 9.5637; 36.3395
90; 90; 90
3323.77Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.
1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one
IUCrData, 2020, 5, x201662
1559876 CIFC55 H46 Cl2 N2 O11P 41 21 219.2448; 19.2448; 26.8461
90; 90; 90
9942.8Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.
Chemical science, 2020, 12, 2940-2947

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