Crystallography Open Database

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4511516 CIFC7 H6 N2 O4P 6513.6937; 13.6937; 21.345
90; 90; 120
3466.3Babu, N. Jagadeesh; Nangia, Ashwini
MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid
Crystal Growth & Design, 2006, 6, 1995
4511517 CIFC7 H6 N2 O4P 6513.6974; 13.6974; 21.3258
90; 90; 120
3465.1Babu, N. Jagadeesh; Nangia, Ashwini
MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid
Crystal Growth & Design, 2006, 6, 1995
4511750 CIFC18 H13 Eu N4 O9P 6511.1955; 11.1955; 26.7384
90; 90; 120
2902.37Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand
Crystal Growth & Design, 2014, 14, 4729
4513432 CIFC7 H3 N O7.33 UP 6514.5783; 14.5783; 9.227
90; 90; 120
1698.26Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.
Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake
Crystal Growth & Design, 2015, 15, 4062
4514615 CIFC20 H17 N3 O PdP 6522.1057; 22.1057; 6.7305
90; 90; 120
2848.31Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata
Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution
ACS Catalysis, 2019, 9, 9606
4516160 CIFC4 H12 I3 P PbP 6510.0382; 10.0382; 23.738
90; 90; 120
2071.5Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.
Phosphonium-Templated Iodoplumbates.
ACS omega, 2018, 3, 17077-17082
4516420 CIFC23 H10 N0 O10 Zn2P 6512.399; 12.399; 51.391
90; 90; 120
6842Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu
Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity
Crystal Growth & Design, 2015, 15, 5382
4517545 CIFIn2 Se3P 657.1231; 7.1231; 19.3925
90; 90; 120
852.12Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping
Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit.
ACS applied materials & interfaces, 2020
4518423 CIFC23 H27 N O4 SP 659.7067; 9.7067; 39.2119
90; 90; 120
3199.57Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia
Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives
ACS Catalysis, 2021, 1827-1832
4518826 CIFC16 H19 Br Mn N3 O3P 6510.2602; 10.2602; 61.043
90; 90; 120
5565.2Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei
Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones
ACS Catalysis, 2021, 11, 8033-8041
7009553 CIFC32 H41 Cl2 Co2 N7 O10P 6513.563; 13.56; 35.8
90; 90; 120
5702Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi
Dinuclear CoIIMII (M = Pb or Co) complexes having a “Co(salen)” entity in a macrocyclic framework: ligand modulation effect and neighboring metal(II) effect upon oxygenation at the “Co(salen)” center
Journal of the Chemical Society, Dalton Transactions, 2000, 2761
7012178 CIFC32 H32 Fe N2 O6P 6522.332; 22.332; 10.369
90; 90; 120
4478.4van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils
Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides
Dalton Transactions, 2003, 210
7027198 CIFC11 H27 Co N6 O6P 658.04; 8.04; 43.73
90; 90; 120
2448.1Angus, Patricia M.; Elliott, Anthony J.; Sargeson, Alan M.; Willis, Anthony C.
Synthesis and properties of cobalt(III) complexes of tripodal ligands containing amide functional groups
Journal of the Chemical Society, Dalton Transactions, 1999, 1131
7029604 CIFC12 H16 Cl2 Fe N2 O2P 658.3897; 8.3897; 35.4893
90; 90; 120
2163.32Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.
Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 6769-6785
7032045 CIFC45 H53 Cl2 N2 Pd SbP 6525.982; 25.982; 12.486
90; 90; 120
7300Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei
A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 14114-14122
7033206 CIFC56 H59 I O4 P2 PdP 6513.4441; 13.4441; 49.8415
90; 90; 120
7801.6Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 1258-1263
7034087 CIFC18 H13 Dy N4 O9P 6511.1993; 11.1993; 26.5836
90; 90; 120
2887.5Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng
Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid).
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6169-6174
7034280 CIFC46 H38 N6 Ni S2P 6510.839; 10.839; 59.167
90; 90; 120
6019.9Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.
Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6863-6870
7037942 CIFC19.5 H37 Cl6 N P2 PtP 6516.7268; 16.7268; 17.0407
90; 90; 120
4128.99Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.
Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2294-2307
7040271 CIFC18 H21 F12 Fe N7 S3 Sb2P 6510.0709; 10.0709; 49.888
90; 90; 120
4381.9Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A
Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 14023-14029
7040538 CIFC40 H33 Cl O2 P RhP 6510.4774; 10.4774; 49.1495
90; 90; 120
4672.6Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.
A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 15660-15670
7042272 CIFC18 H13 Ho N4 O9P 6511.2387; 11.2387; 26.491
90; 90; 120
2897.8Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin
Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4265-4277
7042275 CIFC18 H13 N4 O9 TbP 6511.2771; 11.2771; 26.639
90; 90; 120
2933.89Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin
Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4265-4277
7042277 CIFC18 H13 Eu N4 O9P 6511.309; 11.309; 26.697
90; 90; 120
2957Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin
Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4265-4277
7042278 CIFC18 H13 N4 Nd O9P 6511.3285; 11.3285; 26.7591
90; 90; 120
2974.04Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin
Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4265-4277
7044896 CIFC33 H43 N3 O3P 658.7435; 8.7435; 69.045
90; 90; 120
4571.2Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.
Indirect evidence for a Ni<sup>III</sup>-oxyl oxidant in the reaction of a Ni<sup>II</sup> complex with peracid.
Dalton transactions (Cambridge, England : 2003), 2017, 47, 246-250
7049594 CIFC29 H34 Cl2 F6 Fe N6 O6 S2P 6510.8264; 10.8264; 52.532
90; 90; 120
5332.4Mitra, Mainak; Cusso, Olaf; Bhat, Satish S.; Sun, Mingzhe; Cianfanelli, Marco; Costas, Miquel; Nordlander, Ebbe
Highly enantioselective epoxidation of olefins by H<sub>2</sub>O<sub>2</sub> catalyzed by a non-heme Fe(ii) catalyst of a chiral tetradentate ligand.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 6123-6131
7057136 CIFC17 H18 Cl N O2 Pd TeP 6512.3508; 12.3508; 22.9876
90; 90; 120
3036.8Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J.
Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands
New Journal of Chemistry, 2018, 42, 6264
7057960 CIFC15 H11 Cl2 N3 O4 SP 6523.75; 23.75; 5.1239
90; 90; 120
2502.99Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.
Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines
New Journal of Chemistry, 2019, 43, 130
7058326 CIFC23 H36 B Br N2 O2P 659.6838; 9.6838; 43.5738
90; 90; 120
3538.73Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.
New molecular design for blue BODIPYs
New Journal of Chemistry, 2019, 43, 7233
7100113 CIFC9.17 H18.26 N2.08 O4P 6518.1402; 18.1402; 6.1582
90; 90; 120
1754.96C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen
Chemical Communications, 2005
7100114 CIFC9 H18 N2 O4P 6518.1253; 18.1253; 6.1497
90; 90; 120
1749.66C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen
Chemical Communications, 2005
7100115 CIFC9 H18 I0.07 N2 O4P 6518.147; 18.147; 6.1536
90; 90; 120
1754.97C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen
Chemical Communications, 2005
7100357 CIFC27 H40 N4 O9P 658.807; 8.807; 64.67
90; 90; 120
4344Arindam Banerjee; Apurba Kumar Das; Debasish Haldar; Raghurama P. Hegde; N. Shamala
X-ray crystallographic signature of supramolecular triple helix formation from a water soluble synthetic tetrapeptide
Chemical Communications, 2005
7101184 CIFC41 H73 N3 O9P 6527.007; 27.007; 11.473
90; 90; 120
7247Bhattarai, Khadga M.; del Amo, Vicente; Magro, Germinal; Sisson, Adam L.; Joos, Jean-Baptiste; Charmant, Jonathan P. H.; Kantacha, Anob; Davis, Anthony P.
The "triamino-analogue" of methyl allocholate; a rigid, functionalised scaffold for supramolecular chemistry
Chemical Communications (Cambridge, United Kingdom), 2006, 2335-2337
7102500 CIFC29 H27 O2 P SP 6510.9348; 10.9348; 35.379
90; 90; 120
3663.5Korff, Christian; Helmchen, Gunter
Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.
Chemical communications (Cambridge, England), 2004, 530-531
7103082 CIFC26 H34.33 N2 O5.17 RuP 6521.191; 21.191; 10.778
90; 90; 120
4192Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao
A new NCN pincer ruthenium complex and its catalytic activity for enantioselective hydrogenation of ketones.
Chemical communications (Cambridge, England), 2008, 1923-1925
7103398 CIFC30 H18 Cl9 I3 O6P 6516.3917; 16.3917; 24.8007
90; 90; 120
5770.9Pigge, F Christopher; Vangala, Venu R; Kapadia, Pradeep P; Swenson, Dale C; Rath, Nigam P
Hexagonal crystalline inclusion complexes of 4-iodophenoxy trimesoate.
Chemical communications (Cambridge, England), 2008, 4726-4728
7104454 CIFC46 H76 N2 O4 ZrP 6523.4652; 23.4652; 15.7143
90; 90; 120
7493.3Sergeeva, Ekaterina; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe
Salan ligands assembled around chiral bipyrrolidine: predetermination of chirality around octahedral Ti and Zr centres.
Chemical communications (Cambridge, England), 2009, 34, 3053-3055
7106159 CIFC22 H32 I O10.5P 6523.3688; 23.3688; 8.5888
90; 90; 120
4062Morifumi Fujita; Mikimasa Wakita; Takashi Sugimura
Enantioselective Prevost and Woodward reactions using chiral hypervalent iodine(III): switchover of stereochemical course of an optically active 1,3-dioxolan-2-yl cation
Chem.Commun., 2011, 47, 3983
7106768 CIFC68 H62 Cu2 N2 O14P 6518.6018; 18.6018; 42.963
90; 90; 120
12875Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong
Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing
Chem.Commun., 2011, 47, 9402
7107967 CIFC84 H102 Fe3 I N27 Ni2P 6518.0024; 18.0024; 46.984
90; 90; 120
13186.9Makoto Tadokoro; Yasuko Tanaka; Khoichiro Noguchi; Tomoaki Sugaya; Kyosuke Isoda
Molecular cable-like 1-D iodic spiral chains covered with triple helices stabilized in guest-included chiral porous framework
Chem.Commun., 2012, 48, 7155
7108514 CIFC46 H34 Co N4 O7P 6513.5091; 13.5091; 36.8157
90; 90; 120
5818.6Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng
Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis
Chem.Commun., 2012, 48, 10757
7109274 CIFC27 H25 Br N2 O5P 6514.0226; 14.0226; 22.0805
90; 90; 120
3760.08Maria Gonzalez-Esguevillas; Javier Adrio; Juan C. Carretero
Enantioselective synthesis of 4-aminopyrrolidine-2,4-dicarboxylate derivatives via Ag-catalyzed cycloaddition of azomethine ylides with alkylidene azlactones
Chem.Commun., 2013, 49, 4649
7109499 CIFC33 H35 Ir N5 O2P 6519.805; 19.805; 12.37
90; 90; 120
4202David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos
Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes
Chem.Commun., 2013, 49, 6546
7111297 CIFC24 H32 Cr O5 SiP 6510.4375; 10.4375; 39.4397
90; 90; 120
3720.98Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl
Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes
Chemical Communications, 2003, 2866
7112410 CIFC22 H22 N4 O6P 6519.467; 19.467; 10.8548
90; 90; 120
3562.5Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui
Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.
Chemical communications (Cambridge, England), 2013, 49, 9329-9331
7115009 CIFC19 H23 N2 OP 6510.329; 10.329; 28.108
90; 90; 120
2597Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives
Chemical Communications, 2001, 1240
7115774 CIFC17 H21 N O3P 6511.2648; 11.2648; 21.2304
90; 90; 120
2333.1Dilip V. Patil; Hyun-Sub Park; Jaeyoung Koo; Jin Wook Han; Seunghoon Shin
Aerobic oxygenative cleavage of electron deficient C-C triple bonds in the gold-catalyzed cyclization of 1,6-enynes
Chem.Commun., 2014, 50, 12722
7120519 CIFC12 H6 O3P 658.7768; 8.7768; 19.3349
90; 90; 120
1289.87Ferreira, Renan B.; Figueroa, Jose M.; Fagnani, Danielle E.; Abboud, Khalil A.; Castellano, Ronald K.
Benzotrifuran (BTFuran): a building block for π-conjugated systems
Chem. Commun., 2017
7121633 CIFC22 H28 O4P 659.0951; 9.0951; 38.8243
90; 90; 120
2781.31Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra
Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.
Chemical communications (Cambridge, England), 2018, 54, 5851-5854
7126979 CIFC8 H10 Br N O4 Pb SP 6510.1079; 10.1079; 21.838
90; 90; 120
1932.3Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan
Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.
Chemical communications (Cambridge, England), 2020, 56, 10078-10081
7127429 CIFC22 H36 Cl2 Co2 N10 O8P 6520.399; 20.399; 14.7613
90; 90; 120
5319.5Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab
Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes.
Chemical communications (Cambridge, England), 2020, 56, 14841-14844
7128851 CIFC36 H47 F6 N9 Ni O5 S2P 6523.6705; 23.6705; 16.1646
90; 90; 120
7843.5Pandey, Pragati; Bera, Jitendra K.
Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.
Chemical communications (Cambridge, England), 2021, 57, 9204-9207
7129706 CIFC22 H24 Br N OP 6512.716; 12.716; 22.693
90; 90; 120
3177.8Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong
Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers
Chemical Communications, 2022
7132576 CIFC50.56 H53.12 N6 O4.28P 6518.9446; 18.9446; 22.0233
90; 90; 120
6845.2Hokimoto, Yuya; Nakamura, Takashi
Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.
Chemical communications (Cambridge, England), 2024, 60, 1281-1284
7151430 CIFC30 H39 N3 O6 S3P 6519.555; 19.555; 15.475
90; 90; 120
5124.8Stones, Graham; Argouarch, Gilles; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.
The synthesis of an isopropyl substituted 1,4,7-triazacyclononane via an in situ sequential macrocyclisation method
Organic & Biomolecular Chemistry, 2003, 1, 2357
7151865 CIFC19 H18 Br N3 O6P 6527.8075; 27.8075; 6.4708
90; 90; 120
4333.24Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.
Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.
Organic & biomolecular chemistry, 2011, 9, 3920-3928
7151988 CIFC23 H22 N2 O4P 659.7445; 9.7445; 37.3937
90; 90; 120
3075.02Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.
Spirocyclic systems derived from pyroglutamic acid.
Organic & biomolecular chemistry, 2011, 9, 7042-7056
7152658 CIFC25 H31 N O9P 6518.8854; 18.8854; 12.9167
90; 90; 120
3989.6Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang
Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.
Organic & biomolecular chemistry, 2012, 10, 8794-8799
7152800 CIFC24 H31 N3 O4 SP 6512.3417; 12.3417; 28.361
90; 90; 120
3741.1Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.
Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.
Organic & biomolecular chemistry, 2013, 11, 975-983
7153798 CIFC21 H24 F N O2 SP 6516.1494; 16.1494; 15.1345
90; 90; 120
3418.3Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi
Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.
Organic & biomolecular chemistry, 2014, 12, 4620-4627
7154132 CIFC39 H41 N3 O12P 6512.38; 12.38; 42.393
90; 90; 120
5627Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7155584 CIFC21 H32 N2 O5P 6525.1584; 25.1584; 24.8801
90; 90; 120
13637.9Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish
Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation
Org. Biomol. Chem., 2017
7155596 CIFC15 H15 Cl O5P 6515.8422; 15.8422; 11.1926
90; 90; 120
2432.7Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian
Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes
Org. Biomol. Chem., 2017
7157793 CIFC35 H46 O13P 6511.0913; 11.0913; 92.9928
90; 90; 120
9907.06Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko
Carapanins A–C: new limonoids from andiroba (Carapa guianensis) fruit oil
Organic & Biomolecular Chemistry, 2020, 18, 9268-9274
7158531 CIFC25 H42 O4P 6532.26794; 32.26794; 6.19392
90; 90; 120
5585.2Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7158602 CIFC16 H26 N2 O3 SP 6511.311; 11.311; 25.025
90; 90; 120
2773Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.
A stereochemical journey around spirocyclic glutamic acid analogs
Organic & Biomolecular Chemistry, 2022
7206668 CIFC12 H19 Gd O7P 6510.9374; 10.9374; 21.0837
90; 90; 120
2184.27Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng
Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures
CrystEngComm, 2011, 13, 6827
7206669 CIFC12 H19 O7 TbP 6510.9106; 10.9106; 20.9713
90; 90; 120
2161.99Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng
Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures
CrystEngComm, 2011, 13, 6827
7206670 CIFC12 H19 Eu O7P 6510.9445; 10.9445; 21.1465
90; 90; 120
2193.62Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng
Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures
CrystEngComm, 2011, 13, 6827
7206671 CIFC12 H19 Dy O7P 6510.8956; 10.8956; 20.9289
90; 90; 120
2151.69Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng
Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures
CrystEngComm, 2011, 13, 6827
7207103 CIFC13 H11 Cd N O6P 6510.5423; 10.5423; 20.448
90; 90; 120
1968.1Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong
Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand
CrystEngComm, 2012, 14, 63
7207105 CIFC13 H11 N O6 ZnP 6510.2531; 10.2531; 20.2456
90; 90; 120
1843.2Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong
Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand
CrystEngComm, 2012, 14, 63
7209920 CIFC63 H72 Cd3 K3 N3 O30P 6520.5909; 20.5909; 28.3082
90; 90; 120
10394.3Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu
Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains
CrystEngComm, 2013, 15, 5201
7213660 CIFC15 H13 N Na2 O5P 6518.2186; 18.2186; 8.688
90; 90; 120
2497.36Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her
Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties
CrystEngComm, 2014, 16, 1985
7214921 CIFC37 H68 Ca Cl2 N20 O29P 6514.7327; 14.7327; 46.389
90; 90; 120
8720Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang
p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril
CrystEngComm, 2012, 14, 8049
7220028 CIFC21 H27 N3 O9P 6523.9467; 23.9467; 21.2999
90; 90; 120
10577.9Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH
Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight
RSC Adv., 2015
7223836 CIFC27 H44 OP 6528.2798; 28.2798; 5.9321
90; 90; 120
4108.6Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng
Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability
CrystEngComm, 2016, 18, 1101
7230567 CIFC17 H13 Br2 N O2 SP 659.643; 9.643; 32.282
90; 90; 120
2599.7Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.
“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether
CrystEngComm, 2018, 20, 3218
7230740 CIFC15 H14 O3P 6513.5583; 13.5583; 45.7998
90; 90; 120
7291.3Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7234639 CIFC10 H9 N3P 6518.26; 18.26; 5.0477
90; 90; 120
1457.6Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan
Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule
Journal of Materials Chemistry C, 2016, 4, 2931-2935
7237088 CIFC5 H6 Cu O6P 6511.5965; 11.5965; 10.5437
90; 90; 120
1227.94Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers
CrystEngComm, 2018, 20, 7464
7238581 CIFC36 H58 Dy N23 O32P 6514.531; 14.531; 46.07
90; 90; 120
8424.4Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin
Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution
RSC Advances, 2012, 2, 3217
7239867 CIFC15 H14 N2 O4 SP 6511.4162; 11.4162; 20.9435
90; 90; 120
2363.87Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead
RSC Advances, 2020, 10, 5316-5327
7240692 CIFC19 H20 N4 OP 659.8466; 9.8466; 29.7164
90; 90; 120
2495.17Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.
Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study
RSC Advances, 2020, 10, 22397-22416
7242908 CIFC25 H35 N O5P 6517.676; 17.676; 13.136
90; 90; 120
3554.36Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao
3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae
RSC Advances, 2021, 11, 18827-18831
7243905 CIFC108 H84 N18 O36 Zn3P 6515.4575; 15.4575; 88.791
90; 90; 120
18373Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang
Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode
CrystEngComm, 2021, 23, 8546-8552
7243907 CIFC108 H88 N18 O38 Zn3P 6515.3498; 15.3498; 84.37
90; 90; 120
17215.7Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang
Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode
CrystEngComm, 2021, 23, 8546-8552
7244208 CIFC10 H28 F12 Mn N6 P2P 659.1983; 9.1983; 43.795
90; 90; 120
3209Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.
Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5
CrystEngComm, 2022, 24, 1218-1236
7247361 CIFC10 H13 Cd N O5P 659.3938; 9.3938; 22.5064
90; 90; 120
1719.96Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
CrystEngComm, 2023, 25, 5428-5435
7248340 CIFC14 H26 N2 O5 SP 6511.2868; 11.2868; 27.13
90; 90; 120
2993.1Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7248341 CIFC14.25 H26 N2 O5.51 SP 6511.239; 11.239; 27.0392
90; 90; 120
2957.9Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7248342 CIFC14 H26 N2 O5 SP 6511.2333; 11.2333; 27.046
90; 90; 120
2955.6Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7248343 CIFC16 H30 N2 O5 SP 6511.3887; 11.3887; 27.3424
90; 90; 120
3071.3Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7248344 CIFC17 H32 N2 O5 SP 6511.4929; 11.4929; 27.9288
90; 90; 120
3194.8Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7248345 CIFC14 H26 N2 O5 SP 6511.1876; 11.1876; 26.9537
90; 90; 120
2921.6Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis
CrystEngComm, 2024, 26, 2314-2321
7704241 CIFC64 H71 B F15 N3 O Si2P 6521.649; 21.649; 24.0739
90; 90; 120
9771.3Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi
Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7060-7068
7706802 CIFC17 H26 Au Cl3 N2 OP 6515.7581; 15.7581; 15.4225
90; 90; 120
3316.6Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne
Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 5128-5138
7706979 CIFC18 H52 Cl3 Cr N6 O5P 6512.2603; 12.2603; 33.2599
90; 90; 120
4329.7Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.
Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 5342-5350
7711025 CIFC29 H34 Cl N3 O3 Ru S2P 6516.9078; 16.9078; 19.2787
90; 90; 120
4772.9Khamis, Noha; Clarkson, Guy James; Wills, Martin
Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones
Dalton Transactions, 2022
7712249 CIFC40.5 H48.5 Cl N3 Ni O0.25P 6523.733; 23.733; 10.7187
90; 90; 120
5228.5Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer
Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3
Dalton Transactions, 2023
8100267 CIFC10 H18 Cu N2 O9 SP 6511.2105; 11.2105; 21.582
90; 90; 120
2349Yuan, Ji-Xin; Hu, Mao-Lin; Song, Xin-Yuan
Crystal structure of triaqua-4,4'-bipyridinecopper(II) sulfate dihydrate, [Cu(4,4'-bpy)(H~2~O)~3~](SO~4~) · 2H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 93-94
8100420 CIFB Cd H6 Li O11 P2P 659.7111; 9.7111; 16.0115
90; 90; 120
1307.67Ge, Ming-Hui; Mi, Jin-Xiao; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger
Crystal structure of lithium cadmium diaqua catena-[monoboro-diphosphate]- monohydrate, LiCd(H~2~O)~2~[BP~2~O~8~] · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 273-274
8101591 CIFC8 H9 N3 O5P 659.429; 9.429; 19.234
90; 90; 120
1480.9Poje, Nevenka; Poje, Mirko; Vicković, Ivan
Crystal structure of (S)-1-oxa-3,6,8-triaza-3,6,8-trimethylspiro- [4.4]nonane-2,4,7,9-tetraone, C~8~H~9~N~3~O~5~
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 533-534
8102283 CIFC18 H20 N2 O6P 6510.58; 10.58; 26.58
90; 90; 120
2577Mei-Li Zhang; Xiao-Ming Gao; Dan-Jun Wang; Li Guo; Ji-Wu Wang
Crystal structure of N,N'-bis(4-hydroxy-3-methoxybenzyl)oxalamide, C18H20N2O6
Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 173
9017408 CIFC Ca O3P 657.112; 7.112; 25.4089
90; 90; 120
1113.01Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47

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