Crystallography Open Database

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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

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