Crystallography Open Database

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2008929 CIF
Paper
C15 H22 O2P 3212.0864; 12.0864; 7.9291
90; 90; 120
1003.1Jan W. Bats; Öhlinger, Stefan H.
Absolute configuration of isocurcumenol
Acta Crystallographica Section C, 1999, 55, 1595-1598
2013259 CIF
HKL
Paper
B H3 O3P 327.0453; 7.0453; 9.5608
90; 90; 120
410.98Shuvalov, Robert R.; Burns, Peter C.
A new polytype of orthoboric acid, H~3~BO~3~-3<i>T</i>
Acta Crystallographica Section C, 2003, 59, i47-i49
2014586 CIF
Paper
As Cr2 H K2 O10P 327.6963; 7.6963; 14.6171
90; 90; 120
749.82Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.
K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I
Acta Crystallographica Section C, 2004, 60, i113-i116
2016172 CIF
Paper
B H3 O3P 327.0453; 7.0453; 9.6
90; 90; 120
412.7Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.
Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction
Acta Crystallographica Section C, 2007, 63, i80-i82
2016599 CIF
Paper
C15 H17 I2 O2.5 S0.5 TeP 329.4309; 9.4309; 38.4799
90; 90; 120
2963.9Farran, Joan; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Friese, Karen
Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate
Acta Crystallographica Section C, 2008, 64, o257-o260
2017131 CIF
HKL
Paper
C8 H22 N6 O9 SP 329.1105; 9.1105; 16.2506
90; 90; 120
1168.11Leśniewska, Barbara; Jebors, Said; Coleman, Anthony W.; Suwińska, Kinga
Streptidinium sulfate monohydrate
Acta Crystallographica Section C, 2009, 65, o290-o292
2017654 CIF
Paper
C20 H18 N2 Ni O6P 3211.261; 11.261; 13.495
90; 90; 120
1482Wang, Suna; Wang, Daqi; Dou, Jianmin; Li, Dacheng
An unusual three-dimensional chiral threefold polycatenating network self-assembled from inclined two-dimensional (4,4) layer motifs
Acta Crystallographica Section C, 2010, 66, m141-m144
2018735 CIF
HKL
Paper
C18 H21 N O3 SnP 3211.6246; 11.6246; 11.5864
90; 90; 120
1355.92Böhme, Uwe; Fels, Sabine
Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)
Acta Crystallographica Section C, 2013, 69, 44-46
2021280 CIF
HKL
Paper
C11 H15 Br N2 OP 327.3942; 7.3942; 17.4657
90; 90; 120
826.99Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej
Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts
Acta Crystallographica Section C, 2018, 74
2021281 CIF
HKL
Paper
C11 H15 I N2 OP 327.522; 7.522; 18.5124
90; 90; 120
907.11Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej
Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts
Acta Crystallographica Section C, 2018, 74
2021942 CIF
HKL
Paper
C17 H16 N2 O4 SP 328.3729; 8.3729; 20.0206
90; 90; 120
1215.51Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina
Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam
Acta Crystallographica Section C, 2020, 76, 69-74
2101263 CIF
Paper
H8 O10 S2 SrP 3212.692; 12.692; 19.186
90; 90; 120
2676.5Fábry, J.
Structure redetermination of SrS~2~O~6~.4H~2~O
Acta Crystallographica Section B, 1995, 51, 23-30
2104371 CIF
HKL
Paper
C18 H24 N5 O4 P3P 3210.492; 10.492; 16.6645
90; 90; 120
1588.69Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem
Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography
Acta Crystallographica Section B, 2009, 65, 355-362
2200604 CIF
Paper
C15 H26 O3P 3221.266; 21.266; 7.873
90; 90; 120
3083El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.
(1<i>S</i>,2<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,6-Epoxyhimachalane-2,7-diol
Acta Crystallographica Section E, 2001, 57, o925-o927
2201817 CIF
HKL
Paper
C63 H47 Al O4P 3215.7741; 15.7741; 49.394
90; 90; 120
10643.7Clegg, William; Elsegood, Mark R. J.; Snaith, Ronald; Deceased; Wheatley, Andrew E. H.
(<i>trans</i>-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium
Acta Crystallographica Section E, 2003, 59, m225-m227
2204118 CIF
HKL
Paper
C23 H24 Br2 N4 O2 PdP 3215.41; 15.41; 8.617
90; 90; 120
1772Lee, Hon Man; Chiu, Pei Ling
Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxybenzyl)-1,1'-methylenedi-1<i>H</i>-imidazole-κ^2^<i>C</i>^2^,<i>C</i>^2'^]palladium(II)
Acta Crystallographica Section E, 2004, 60, m1276-m1277
2204529 CIF
HKL
Paper
C9 H16 O4P 3213.3072; 13.3072; 5.1172
90; 90; 120
784.8Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J.
4,8-Anhydro-1,2,3,5-tetradeoxy-<small>D</small>-<i>allo</i>-non-1-enitol
Acta Crystallographica Section E, 2004, 60, o1942-o1944
2205631 CIF
HKL
Paper
C6 H6 I NP 3211.2952; 11.2952; 4.5325
90; 90; 120
500.79Andrew Parkin; Christopher K. Spanswick; Colin R. Pulham; Chick C. Wilson
2-Iodoaniline at 100 K
Acta Crystallographica Section E, 2005, 61, o1087-o1089
2209975 CIF
HKL
Paper
C16 H18 N2 O5 SP 3211.6285; 11.6285; 10.894
90; 90; 120
1275.7Duan, Er-Hong; Zhao, Di-Shun; Wang, Juan; Li, Mei-Ling
1-Oxo-6-(2-phenylacetylamino)-1-penicillanic acid
Acta Crystallographica Section E, 2006, 62, o3249-o3250
2212660 CIF
HKL
Paper
C30 H24 Cu F12 N6 P2P 3210.4344; 10.4344; 26.324
90; 90; 120
2482.1Wang, Li; Yang, Xue-Yun; Huang, Wei
Tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')copper(II) hexafluoridophosphate
Acta Crystallographica Section E, 2007, 63, m835-m836
2216446 CIF
HKL
Paper
C10 H17 N O5 SP 328.7006; 8.7006; 14.0732
90; 90; 120
922.62Harrison, William T. A.; Swamy, M. T.; Yathirajan, H. S.; Ashok, M. A.; Narayana, B.
Diethylammonium 2,5-dihydroxybenzenesulfonate
Acta Crystallographica Section E, 2007, 63, o4870-o4870
2218495 CIF
Paper
C10 H16 Br2 N2 SP 328.9892; 8.9892; 15.4567
90; 90; 120
1081.66Zhang, Shuai; Wang, Yifeng; Xia, Aibao; Luo, Shuping
(<i>S</i>)-2-(Pyrrolidinium-2-ylmethylsulfanyl)pyridinium dibromide
Acta Crystallographica Section E, 2008, 64, o1142
2220779 CIF
HKL
Paper
C6 H12 O6P 327.1749; 7.1749; 12.7415
90; 90; 120
568.05Watanabe, Yuji; Yoshida, Hiromi; Takeda, Kosei; Ishi, Tomohiko; Kamitori, Shigehiro
β-<small>D</small>-Altrose
Acta Crystallographica Section E, 2009, 65, o280
2221382 CIF
HKL
Paper
C20 H25 N O4P 3210.959; 10.959; 12.726
90; 90; 120
1323.6Li, Yu-Feng; Qian, Yi; Yin, Li-He; Lv, Ran; Zhu, Hong-Jun
(9<i>S</i>,13<i>R</i>,14<i>R</i>)-7,8-Didehydro-3,4,7-trimethoxy-17-methylmorphinan-6-one
Acta Crystallographica Section E, 2009, 65, o689
2225274 CIF
HKL
Paper
C18 H16 N4 SP 3215.6495; 15.6495; 5.9335
90; 90; 120
1258.5de Lima, Geraldo M.; Harrison, William T. A.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
(<i>E</i>)-1-Phenyl-2-({5-[(1<i>E</i>)-(2-phenylhydrazin-1-ylidene)methyl]-2-thienyl}methylidene)hydrazine
Acta Crystallographica Section E, 2010, 66, o504-o505
2229523 CIF
HKL
Paper
C16 H24 Cl2 OP 3213.2323; 13.2323; 7.9807
90; 90; 120
1210.2Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha
(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol
Acta Crystallographica Section E, 2011, 67, o615
2233159 CIF
HKL
Paper
C18 H16 N2 SP 3216.223; 16.223; 4.813
90; 90; 120
1097.01Pawar, Sunayna; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
(<i>S</i>)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole
Acta Crystallographica Section E, 2012, 68, o176
2237196 CIF
HKL
Paper
C30 H24 Co F12 N6 P2P 3210.3524; 10.3524; 26.14
90; 90; 120
2426.2Menteş, Ayfer; Singh, Kuldip
Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) bis(hexafluoridophosphate)
Acta Crystallographica Section E, 2013, 69, m58
2238386 CIF
HKL
Paper
C19 H18.5 Cl N2 O0.75 SP 3213.211; 13.211; 19.555
90; 90; 120
2955.7Guo-Li, Huang; Bo, Liu; Jun-Feng, Kou
7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate
Acta Crystallographica Section E, 2013, 69, o1247-o1248
2240345 CIF
HKL
C25 H24 OP 3217.867; 17.867; 5.329
90; 90; 120
1473.3Ganguly, Rakesh; Sally; Chan, Philip Wai Hong
Crystal structure of (<i>Z</i>)-1-phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol
Acta Crystallographica Section E, 2015, 71, o64
2241726 CIF
HKL
Paper
C34 H28 O4P 3210.833; 10.833; 39.169
90; 90; 120
3980.8Greenberg, Fred H.; Nazarenko, Alexander Y.
Crystal structure of dimethyl 3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
Acta Crystallographica Section E, 2016, 72, 947-950
2311265 CIFC16 H18 N2P 3211.7721; 11.7721; 8.0824
90; 90; 120
970.02Parsons, Simon; Flack, Howard D.; Wagner, Trixie
Use of intensity quotients and differences in absolute structure refinement.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259
4000620 CIFC20 H26 N2 OP 3216.002; 16.002; 6.04
90; 90; 120
1339.4Chemistry of Materials, 2005
4000957 CIFB10 Na O24 U2P 326.4334; 6.4334; 35.586
90; 90; 120
1275.5Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials
Chemistry of Materials, 2010, 22, 2155
4001168 CIFC20 H26 N2 OP 3215.599; 15.599; 6.246
90; 90; 120
1316.2Sliwa, Michel; Spangenberg, Arnaud; Malfant, Isabelle; Lacroix, Pascal G.; Métivier, Rémi; Pansu, Robert B.; Nakatani, Keitaro
Structural, Optical, and Theoretical Studies of a Thermochromic Organic Crystal with Reversibly Variable Second Harmonic Generation
Chemistry of Materials, 2008, 20, 4062
4001736 CIFB2 Bi F O4P 326.7147; 6.7147; 6.4688
90; 90; 120
252.585Li, G.; Lin, J.; Wang, Y.; Li, L.; Liao, F.
Bismuth borates: One-dimensional borate chains and nonlinear optical properties
Chemistry of Materials (1,1989-), 2005, 17, 4174-4180
4002540 CIFB11 H9 O27 Pb6P 3211.7691; 11.7691; 13.3361
90; 90; 120
1599.73Yu, Z.-T.; Chen, J.-S.; Shi, Z.; Jiang, Y.-S.; Yuan, H.-M.
A chiral lead borate containing infinite and finite chains built up from B O4 and B O3 units
Chemistry of Materials (1,1989-), 2002, 14, 1314-1318
4002731 CIFIn3 Na Se5P 3224.5815; 24.5815; 17.4269
90; 90; 120
9119.4Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong
Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds
Chemistry of Materials, 2017, 29, 1796
4002829 CIFAl3 Na3 O12 Si3P 325.108967; 5.108967; 12.48752
90; 90; 120
282.275Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin
Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission
Chemistry of Materials, 2017, 29, 6552
4021448 CIFC13 H17 N O2 SP 3211.079; 11.079; 9.666
90; 90; 120
1027.5Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg
Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors
Journal of Organic Chemistry, 2006, 71, 1265-1268
4021629 CIFC23 H24 F5 N O4 S2P 3211.4564; 11.4564; 16.2373
90; 90; 120
1845.61Jeremy P. Scott; Steven F. Oliver; Karel M. J. Brands; Sarah E. Brewer; Antony J. Davies; Andrew D. Gibb; David Hands; Stephen P. Keen; Faye J. Sheen; Robert A. Reamer; Robert D. Wilson; Ulf-H. Dolling
Practical Asymmetric Synthesis of a γ-Secretase Inhibitor Exploiting Substrate-Controlled Intramolecular Nitrile Oxide-Olefin Cycloaddition
Journal of Organic Chemistry, 2006, 71, 3086-3092
4021975 CIFC14 H20 Br N O5P 3212.7298; 12.7298; 33.4904
90; 90; 120
4699.96James T. Slama; Nimish Mehta; Ewa Skrzypczak-Jankun
Carbocyclic Ribosylamines: Synthesis of 5-Substituted Carbocyclic β-Ribofuranosylamines
Journal of Organic Chemistry, 2006, 71, 7877-7880
4022482 CIFC23 H33 I O3P 3213.826; 13.826; 10.088
90; 90; 120
1670.05José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda
Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~
Journal of Organic Chemistry, 2003, 68, 6583-6586
4022913 CIFC17 H20 Cl N OP 3218.0383; 18.0383; 11.9993
90; 90; 120
3381.25Giuseppe Borsato; Anthony Linden; Ottorino De Lucchi; Vittorio Lucchini; David Wolstenholme; Alfonso Zambon
Chiral Polycyclic Ketones via Desymmetrization of Dihaloolefins
Journal of Organic Chemistry, 2007, 72, 4272-4275
4023464 CIFC54 H92 O26 P2 S2 Se2P 3211.893; 11.893; 43.492
90; 90; 120
5327.5Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor
Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides
Journal of Organic Chemistry, 2008, 73, 4388-4397
4023466 CIFC52.2 H86.87 O25.4 P2 S2.77 Se1.23P 3211.745; 11.745; 42.937
90; 90; 120
5129.4Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor
Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides
Journal of Organic Chemistry, 2008, 73, 4388-4397
4023467 CIFC54 H92 O26 P2 S2.93 Se1.07P 3211.717; 11.717; 42.414
90; 90; 120
5042.8Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor
Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides
Journal of Organic Chemistry, 2008, 73, 4388-4397
4023468 CIFC54 H90 O26 P2 S2 Se2P 3211.883; 11.883; 43.699
90; 90; 120
5343.8Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor
Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides
Journal of Organic Chemistry, 2008, 73, 4388-4397
4027069 CIFC22 H24 O6P 329.3573; 9.3573; 40.4414
90; 90; 120
3066.61Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma
Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate
Journal of Organic Chemistry, 2012, 77, 2959-2965
4029671 CIFC16 H14 I2P 3211.6253; 11.6253; 9.0313
90; 90; 120
1057.03Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne
Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.
The Journal of organic chemistry, 2014, 79, 6679-6687

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