Crystallography Open Database
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Searching space group like 'P 1 21/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7156739 | CIF | C26 H49 N O4 Si2 | P 1 21/a 1 | 12.4339; 19.941; 12.721 90; 96.173; 90 | 3135.8 | Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne Total synthesis of spiromastilactone A. Organic & biomolecular chemistry, 2019, 17, 3819-3824 |
| 7157759 | CIF | C16 H18 Cl N O6 | P 1 21/a 1 | 11.042; 8.8933; 16.9598 90; 95.377; 90 | 1658.12 | Bakthadoss, Manickam; Mushaf, Mohammad Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds. Organic & biomolecular chemistry, 2020, 18, 9653-9659 |
| 7159283 | CIF | C18 H13 N5 O2 | P 1 21/a 1 | 15.7306; 14.9839; 7.2686 90; 111.748; 90 | 1591.31 | Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A. Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines. Organic & biomolecular chemistry, 2023, 21, 3604-3614 |
| 7159355 | CIF | C49 H64 O10 S4 | P 1 21/a 1 | 11.7275; 35.321; 12.2803 90; 101.324; 90 | 4987.8 | Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups. Organic & biomolecular chemistry, 2023, 21, 4620-4630 |
| 7200356 | CIF | C21 H20 Cl N4 O S | P 1 21/a 1 | 7.377; 8.038; 33.627 90; 95.6; 90 | 1984 | Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina Ziprasidone malate, a new trimorphic salt with improved aqueous solubility CrystEngComm, 2009, 11, 791 |
| 7200773 | CIF | C24 H16 O | P 1 21/a 1 | 11.6222; 13.9067; 10.3985 90; 102.513; 90 | 1640.75 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200774 | CIF | C24 H16 O | P 1 21/a 1 | 11.6186; 13.9166; 10.419 90; 102.484; 90 | 1644.8 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200775 | CIF | C24 H16 O | P 1 21/a 1 | 11.6272; 13.9254; 10.4577 90; 102.408; 90 | 1653.7 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200776 | CIF | C24 H16 O | P 1 21/a 1 | 11.6561; 13.9147; 10.5076 90; 102.099; 90 | 1666.4 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200777 | CIF | C24 H16 O | P 1 21/a 1 | 11.7174; 13.8685; 10.5133 90; 101.625; 90 | 1673.4 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200778 | CIF | C24 H16 O | P 1 21/a 1 | 11.8493; 13.8243; 10.4921 90; 101.018; 90 | 1687 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7200779 | CIF | C24 H16 O | P 1 21/a 1 | 11.8957; 13.8099; 10.4687 90; 100.865; 90 | 1689 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
| 7201049 | CIF | C26 H16 Cl4 Fe O4 S14 Se4 | P 1 21/a 1 | 15.993; 14.382; 20.73 90; 114.568; 90 | 4336.5 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
| 7201050 | CIF | C26 H16 Cl4 Fe O4 S14 Se4 | P 1 21/a 1 | 15.961; 14.0875; 20.2992 90; 113.437; 90 | 4187.7 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
| 7201051 | CIF | C26 H16 Cl4 Ga O4 S14 Se4 | P 1 21/a 1 | 16.0581; 14.4343; 20.866 90; 114.688; 90 | 4394.4 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
| 7201052 | CIF | C26 H16 Cl4 Ga O4 S14 Se4 | P 1 21/a 1 | 15.9774; 14.1318; 20.3734 90; 113.461; 90 | 4219.8 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
| 7201327 | CIF | C30 H20 Cl3 O5 P S | P 1 21/a 1 | 10.091; 24.04; 11.305 90; 94.129; 90 | 2735.3 | Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S. A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts CrystEngComm, 2009, 11, 2588 |
| 7201672 | CIF | C14 H18 Mg O6 | P 1 21/a 1 | 8.31089; 12.15064; 8.06761 90; 106.723; 90 | 780.234 | Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker Novel linear acetylpentanedionato complexes for metal‒organic framework construction CrystEngComm, 2008, 10, 327 |
| 7201756 | CIF | C8 H4 F N O2 | P 1 21/a 1 | 7.1988; 12.7677; 14.9468 90; 91.702; 90 | 1373.19 | Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K. Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening CrystEngComm, 2008 |
| 7201785 | CIF | ? | P 1 21/a 1 | 14.9227; 4.41484; 10.3539 90; 105.55; 90 | 657.16 | Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth The crystal structure of a metastable polymorph of para-azoxyanisole CrystEngComm, 2008, 10, 279 |
| 7201826 | CIF | C32 H33 Cl6 N S Sb | P 1 21/a 1 | 13.7062; 21.5592; 22.5411 90; 94.493; 90 | 6640.3 | Oka, Hiroyuki Synthesis and through-bond spin interaction of stable 1,3-phenylene linked poly(phenothiazine cation radical) Journal of Materials Chemistry, 2008, 18, 1927 |
| 7201886 | CIF | C23 H28 O6 | P 1 21/a 1 | 12.3702; 14.102; 13.0089 90; 108.853; 90 | 2147.6 | Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network CrystEngComm, 2008, 10, 493 |
| 7201919 | CIF | C18 H34 Cl2 N2 O4 Zn | P 1 21/a 1 | 13.175; 10.498; 16.82 90; 108.91; 90 | 2200.8 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin CrystEngComm, 2008, 10, 469 |
| 7201920 | CIF | C18 H34 Cl2 Cu N2 O4 | P 1 21/a 1 | 11.865; 6.75; 15.109 90; 112.87; 90 | 1114.9 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin CrystEngComm, 2008, 10, 469 |
| 7202536 | CIF | C20 H15 N S | P 1 21/a 1 | 14.178; 14.05; 15.909 90; 93.62; 90 | 3163 | McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes Journal of Materials Chemistry, 2007, 17, 2088 |
| 7202726 | CIF | C24 H22 S2 | P 1 21/a 1 | 9.242; 5.718; 18.205 90; 100.06; 90 | 947.3 | Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo Molecular ordering in bis(phenylenyl)bithiophenes Journal of Materials Chemistry, 2007, 17, 3427 |
| 7202729 | CIF | C24 H22 S2 | P 1 21/a 1 | 9.109; 5.7272; 18.159 90; 101.54; 90 | 928.2 | Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo Molecular ordering in bis(phenylenyl)bithiophenes Journal of Materials Chemistry, 2007, 17, 3427 |
| 7202909 | CIF | C20 H24 O2 | P 1 21/a 1 | 11.5009; 9.8934; 14.9322 90; 112.168; 90 | 1573.44 | Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state CrystEngComm, 2007, 9, 786 |
| 7202910 | CIF | C24 H26 O4 | P 1 21/a 1 | 10.146; 17.455; 12.088 90; 110.9; 90 | 1999.9 | Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state CrystEngComm, 2007, 9, 786 |
| 7202978 | CIF | C10 H6 N4 O5 | P 1 21/a 1 | 9.873; 10.671; 10.578 90; 104.58; 90 | 1078.6 | O'Leary, Jane; Wallis, John D. A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides CrystEngComm, 2007, 9, 941 |
| 7202980 | CIF | C12 H10 N4 O5 | P 1 21/a 1 | 8.167; 13.4699; 11.3597 90; 94.7505; 90 | 1245.37 | O'Leary, Jane; Wallis, John D. A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides CrystEngComm, 2007, 9, 941 |
| 7203357 | CIF | C16 H14 Cu O6 | P 1 21/a 1 | 9.454; 4.905; 15.495 90; 102.564; 90 | 701.3 | Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc An approach to chiral magnets using ?-hydroxycarboxylates Journal of Materials Chemistry, 2006, 16, 2715 |
| 7203388 | CIF | C12 H10 F3 N O2 | P 1 21/a 1 | 7.925; 10.643; 13.886 90; 99.478; 90 | 1155.2 | Kayaki, Yoshihito; Yamamoto, Masafumi; Suzuki, Tomoyuki; Ikariya, Takao Carboxylative cyclization of propargylamines with supercritical carbon dioxide Green Chemistry, 2006, 8, 1019 |
| 7203654 | CIF | C13 H19 N3 O4 S | P 1 21/a 1 | 11.094; 10.685; 12.71 90; 102.954; 90 | 1468.29 | Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E. Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure CrystEngComm, 2006, 8, 931 |
| 7203823 | CIF | C26 H20 O2 | P 1 21/a 1 | 13.848; 9.052; 17.146 90; 114.32; 90 | 1959 | Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study. Physical chemistry chemical physics : PCCP, 2005, 7, 3027-3034 |
| 7203851 | CIF | C20 H30 Au2 S6 W2 | P 1 21/a 1 | 17.123; 9.373; 18.019 90; 107.43; 90 | 2759.2 | Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2 Physical Chemistry Chemical Physics, 2003, 5, 5127 |
| 7203950 | CIF | C15 H26 O3 | P 1 21/a 1 | 10.453; 23.017; 12.223 90; 102.83; 90 | 2867.4 | Muri, Estela; Kanazawa, Alice; Barreiro, Eliezer; Greene, Andrew E. Asymmetric synthesis of 3β-angeloyloxy-4β-hydroxyeudesman-8-one, purported sesquiterpene from Pluchea quitoc † Journal of the Chemical Society, Perkin Transactions 1, 2000, 731 |
| 7203974 | CIF | C45.5 H59 Fe2 N Ni O0.5 S8 | P 1 21/a 1 | 19.503; 10.841; 24.137 90; 97.13; 90 | 5064 | Lee, Ha-Jin; Noh, Dong-Youn Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes Journal of Materials Chemistry, 2000, 10, 2167 |
| 7204004 | CIF | C11 H11 B F4 N O S8 | P 1 21/a 1 | 20.944; 9.861; 9.404 90; 95.61; 90 | 1932.9 | Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt Journal of Materials Chemistry, 2000, 10, 2277 |
| 7204085 | CIF | C22 H19 B N2 | P 1 21/a 1 | 7.1341; 15.305; 15.559 90; 90.138; 90 | 1698.8 | Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni The complexation of tetraphenylborate with organic N-heteroaromatic cations Journal of the Chemical Society, Perkin Transactions 2, 2001, 2364 |
| 7204131 | CIF | ? | P 1 21/a 1 | 10.16; 13.851; 13.678 90; 96.57; 90 | 1912.2 | Yamochi, Hideki; Sogoshi, Norihito; Simizu, Yasuhiro; Saito, Gunzi; Matsumoto, Kiyoshi The crystal and electronic structure analysis of (OMTTF)2[Ni(tdas)2] Journal of Materials Chemistry, 2001, 11, 2216 |
| 7204156 | CIF | C18 H34 O4 | P 1 21/a 1 | 8.359; 13.505; 9.538 90; 111.74; 90 | 1000.1 | John R. Lindsay Smith; Eiji Nagatomi; Angela Stead; David J. Waddington The autoxidation of aliphatic esters. Part 3. The reactions of alkoxyl and methyl radicals, from the thermolysis and photolysis of peroxides, with neopentyl esters J. Chem. Soc., Perkin Trans. 2, 2001, 1527-1533 |
| 7204245 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.719; 19.14; 11.106 90; 102.55; 90 | 2639 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
| 7204246 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.774; 9.135; 11.388 90; 104.79; 90 | 1284.8 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
| 7204249 | CIF | C58 H38 N14 | P 1 21/a 1 | 9.4955; 27.5691; 17.9795 90; 92.8582; 90 | 4700.86 | Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids Journal of the Chemical Society, Perkin Transactions 1, 2002, 809 |
| 7204404 | CIF | C14 H11 Cl3 N2 O3 | P 1 21/a 1 | 13.536; 7.787; 14.769 90; 97.62; 90 | 1543 | Sam, Najat; Elkadiri, Sghir; Bozec, Hubert Le; Toupet, Loic; Daoudi, Maria; Bitit, Najib; Hadda, Taibi Ben; Dixneuf, Pierre H. Novel trichloroindolizine derivatives via intramolecular acylation of a bis(chloroacyl)bipyridine Journal of the Chemical Society, Perkin Transactions 1, 2002, 1688 |
| 7204469 | CIF | C10 H10 O3 | P 1 21/a 1 | 7.171; 17.69; 8.092 90; 117.774; 90 | 908 | Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy J. Chem. Soc., Perkin Trans. 2, 2002, 1533-1537 |
| 7204478 | CIF | C23 H21 B F N3 O4 | P 1 21/a 1 | 11.229; 15.668; 12.587 90; 108.23; 90 | 2103.36 | Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives J. Mater. Chem., 2002, 12, 2898-2903 |
| 7204479 | CIF | C23 H21 B Br N3 O4 | P 1 21/a 1 | 11.27; 16.565; 12.27 90; 107.45; 90 | 2185 | Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives J. Mater. Chem., 2002, 12, 2898-2903 |
| 7204512 | CIF | C11 H7 Cl2 N O3 | P 1 21/a 1 | 10.4382; 10.2875; 11.4036 90; 109.859; 90 | 1151.73 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
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