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 |
|---|---|---|---|---|---|---|
| 1541870 | CIF | Cu H12 O14 S2 Tl2 | P 1 21/a 1 | 9.27; 12.39; 6.22 90; 105.6; 90 | 688.083 | Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L. Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron) Crystal Structure Communications, 1972, 1, 371-373 |
| 1541871 | CIF | Cs2 Cu H12 O14 S2 | P 1 21/a 1 | 9.42; 12.785; 6.28 90; 105.9; 90 | 727.394 | Shields, K.G.; Kennard, C.H.L. Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron) Crystal Structure Communications, 1972, 1, 189-191 |
| 1542049 | CIF | H N O3 | P 1 21/a 1 | 16.23; 8.57; 6.31 90; 90; 90 | 877.665 | Luzzati, V. Structure cristalline de l'acide nitrique anhydre. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1949, 229, 1349-1351 |
| 1542104 | CIF | Al2 Ba O8 Si2 | P 1 21/a 1 | 9.08; 9.58; 8.58 90; 90; 90 | 746.343 | Bakakin, V.V.; Belov, N.V. Crystal structure of paracelsian Kristallografiya, 1960, 5, 864-868 |
| 1542120 | CIF | Na2 O5 Si2 | P 1 21/a 1 | 12.26; 4.8; 8.08 90; 104.3; 90 | 460.759 | Grund, A. La structure cristalline du disilicate de soude beta-Na2 Si2 O5 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1954, 77, 775-785 |
| 1542664 | CIF | C29 H36 N O9 P S | P 1 21/a 1 | 16.58; 10.731; 17.82 90; 104.369; 90 | 3071 | Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates. Organic letters, 2016, 18, 880-883 |
| 1543270 | CIF | C16 H14 N2 | P 1 21/a 1 | 13.8715; 5.5938; 17.2693 90; 113.43; 90 | 1229.51 | Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes. Organic letters, 2016, 18, 2487-2490 |
| 1543493 | CIF | C194 H92 Cl4 Li2 N8 Ni2 | P 1 21/a 1 | 24.4; 14.864; 17.233 90; 108.543; 90 | 5925.6 | Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride Chem. Sci., 2016, 7, 5770 |
| 1543504 | CIF HKL | C23 H19 N3 O2 | P 1 21/a 1 | 18.28; 5.493; 18.298 90; 96.02; 90 | 1827 | Takase, Tsugiko; Soga, Yuka; Oyama, Dai 4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine IUCrData, 2016, 1, x160950 |
| 1543839 | CIF | C45.2 H30.81 F12 N4 O3.2 | P 1 21/a 1 | 11.642; 30.056; 11.989 90; 105.322; 90 | 4046 | Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu Doubly N-Methylated Porphyrinoids. Organic letters, 2016, 18, 3006-3009 |
| 1544050 | CIF | C8 H10 O7 Sr | P 1 21/a 1 | 6.8224; 21.8495; 7.2677 90; 92.233; 90 | 1082.54 | Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer Inorganica Chimica Acta, 2014, 503-506 |
| 1544067 | CIF | C16 H20 N6 | P 1 21/a 1 | 12.3916; 9.7149; 13.2453 90; 94.592; 90 | 1589.39 | Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction. Organic letters, 2016, 18, 4762-4765 |
| 1544389 | CIF | Li4 O8 P2 Zn | P 1 21/a 1 | 8.096; 10.242; 8.106 90; 104.73; 90 | 650.1 | Jensen, T.R.; Hazell, R.G.; Christensen, Norlund, A.; Hanson, J.C. Hydrothermal synthesis of lithium zinc phosphates: structural investigation of twinned alpha-Li4Zn(PO4)2 and a high temperature polymorph beta-Li4Zn(PO4)2 Journal of Solid State Chemistry, 2002, 166, 341-351 |
| 1544509 | CIF | C H8 Ho N O9 P S | P 1 21/a 1 | 12.938; 6.834; 9.1 90; 88.12; 90 | 804.2 | Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R. Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine) Journal of the Ceramic Society of Japan, 2010, 118, 236-240 |
| 1544821 | CIF HKL Paper | C13 H14 O3 | P 1 21/a 1 | 9.2491; 18.1423; 14.3719 90; 96.61; 90 | 2395.6 | Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed (<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid IUCrData, 2016, 1, x162003 |
| 1545211 | CIF | C14 H19 N5 O | P 1 21/a 1 | 11.5604; 7.8775; 15.7761 90; 92.698; 90 | 1435.09 | Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander De Novo Assembly of Highly Substituted Morpholines and Piperazines. Organic letters, 2017, 19, 642-645 |
| 1545487 | CIF HKL Paper | C19 H19 N O2 | P 1 21/a 1 | 9.44; 14.6051; 12.321 90; 105.68; 90 | 1635.5 | Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha 2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide IUCrData, 2017, 2, x170200 |
| 1545666 | CIF | C17 H15 B F2 O2 | P 1 21/a 1 | 14.2946; 14.013; 15.2327 90; 104.76; 90 | 2950.6 | Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017 |
| 1545874 | CIF | C6 H11 F4 Li N4 O8 S4 | P 1 21/a 1 | 8.9922; 9.6614; 10.2093 90; 105.422; 90 | 855.02 | Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures The Journal of Physical Chemistry C, 2017, 121, 9209 |
| 1546163 | CIF | C20 H20 Br2 Mn N2 O6 Re | P 1 21/a 1 | 13.849; 18.445; 8.901 90; 100.56; 90 | 2235.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
| 1546403 | CIF | F3 H6 Mn O3 | P 1 21/a 1 | 8.481; 9.473; 6.473 90; 100.51; 90 | 511.3 | Molinier, Michel; Massa, Werner Structures of two polymorphs of MnF3.3H2O Journal of Fluorine Chemistry, 1992, 57, 139-146 |
| 1546616 | CIF | C13 H16 Cl N5 O | P 1 21/a 1 | 11.5361; 7.8544; 15.7254 90; 93.296; 90 | 1422.51 | Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander De Novo Assembly of Highly Substituted Morpholines and Piperazines. Organic letters, 2017, 19, 642-645 |
| 1547179 | CIF | C17 H14 N2 O | P 1 21/a 1 | 14.4154; 6.024; 15.0935 90; 94.616; 90 | 1306.44 | Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover. Organic letters, 2017, 19, 5458-5461 |
| 1547245 | CIF | C35 H56 N2 O4 Ti | P 1 21/a 1 | 19.372; 9.652; 20.395 90; 116.015; 90 | 3427 | Stuart L Hancock; Mary F. Mahon; Matthew D. Jones Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide Chemistry Central Journal, 2013, 7, 135 |
| 1547272 | CIF | C22 H21 N3 S | P 1 21/a 1 | 8.3072; 13.5441; 17.41 90; 92.275; 90 | 1957.3 | Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight Chemistry Central Journal, 2016, 10, 13 |
| 1547622 | CIF | C65 H60 Cl4 N5 O P Pd S2 | P 1 21/a 1 | 13.476; 18.301; 25.301 90; 103.474; 90 | 6068 | Osuka, Atsuhiro; Fujimoto, Keisuke Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton Chem. Sci., 2017 |
| 1548054 | CIF | C27 H19 N | P 1 21/a 1 | 7.379; 22.716; 9.381 90; 111.14; 90 | 1466.6 | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science, 2018, 9, 475-482 |
| 1548055 | CIF | C27 H19 N | P 1 21/a 1 | 8.5137; 21.963; 9.8776 90; 104.406; 90 | 1788.9 | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science, 2018, 9, 475-482 |
| 1548296 | CIF | C12 H24 B2 O4 | P 1 21/a 1 | 10.165; 7.482; 10.278 90; 110.446; 90 | 732.4 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548427 | CIF | C38 H48 B2 N2 O2 | P 1 21/a 1 | 17.6; 19.466; 20.232 90; 96.305; 90 | 6889.6 | Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310 |
| 1548435 | CIF | C37 H47 B2 N3 O2 | P 1 21/a 1 | 15.319; 13.7912; 17.481 90; 112.051; 90 | 3423 | Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives. Chemical science, 2018, 9, 1301-1310 |
| 1548840 | CIF HKL Paper | C6 H12 O6 | P 1 21/a 1 | 12.8152; 6.29489; 18.9482 90; 108.347; 90 | 1450.85 | Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro α-<small>D</small>,<small>L</small>-Sorbose IUCrData, 2018, 3, x180114 |
| 1548854 | CIF | C25 H30 N2 O2 S2 | P 1 21/a 1 | 10.7685; 14.2394; 16.386 90; 108.759; 90 | 2379.1 | Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science, 2018, 9, 2666-2673 |
| 1548951 | CIF | C12 H14 F2 O | P 1 21/a 1 | 13.5173; 5.57303; 27.4909 90; 90.469; 90 | 2070.88 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1549701 | CIF | C34 H30 Cl N O | P 1 21/a 1 | 9.6998; 20.0864; 13.8561 90; 107.551; 90 | 2574 | Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1157-1168 |
| 1551044 | CIF | C20 H24 B2 Mn N4 S2 | P 1 21/a 1 | 10.179; 15.499; 15.438 90; 107.261; 90 | 2325.9 | Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation Chemical Science, 2019 |
| 1551194 | CIF HKL Paper | Ba H2 O4 Te | P 1 21/a 1 | 8.6061; 7.582; 7.7252 90; 105.88; 90 | 484.843 | Weil, Matthias Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms IUCrData, 2019, 4 |
| 1551225 | CIF | C122 H170 Cl2 N30 Ni3 O38 Ru4 | P 1 21/a 1 | 13.4193; 41.433; 14.2634 90; 111.803; 90 | 7363.2 | Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15455-15464 |
| 1551535 | CIF | C85.6 H94.2 B2 Fe2 N6 O3.7 | P 1 21/a 1 | 21.678; 16.3791; 22.447 90; 111.522; 90 | 7414.5 | SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker X-ray Structure Analysis Online, 2019, 35, 5 |
| 1551542 | CIF | C40 H33 F3 N2 O | P 1 21/a 1 | 16.718; 12.216; 16.184 90; 99; 90 | 3264.5 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551705 | CIF | C24 H15 N7 O14 | P 1 21/a 1 | 25.4238; 6.9922; 15.1311 90; 92.335; 90 | 2687.6 | KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M. Cocrystallization of Diphenylamine and Picric acid (1:2) X-ray Structure Analysis Online, 2012, 28, 31 |
| 1551753 | CIF | C38.25 H40.5 Cl0.5 O6 | P 1 21/a 1 | 15.7058; 14.8399; 16.3334 90; 117.778; 90 | 3368.2 | MEDDEB-LIMEM, Sondes; BESBES-HENTATI, Salma; SAID, Hechmi; MALÉZIEUX, Bernard; CHAMOREAU, Lise. Marie.; BOUVET, Marcel Electrosynthesis and Structural Studies of 5,17-Di-tert-butyl-26,28-dimethoxycalix[4]arene-25,27-diquinone X-ray Structure Analysis Online, 2010, 26, 29 |
| 1551797 | CIF | C20 H23 N7 O6 | P 1 21/a 1 | 10.105; 20.061; 11.213 90; 107.83; 90 | 2163.9 | BANERT, Klaus; SCHUMANN, Patrick; RÜFFER, Tobias; LANG, Heinrich Synthesis and Crystal Structure of 10,20-Dimethyl-15-oxa-1,3,6,8,9,21-hexaazapentacyclo[15.3.1.16,9.13,21.08,13]tricosa-11,18-diene-2,7,14,22,23-pentaone X-ray Structure Analysis Online, 2009, 25, 9 |
| 1552536 | CIF | C44 H41 Cl0 N3 | P 1 21/a 1 | 8.191; 35.062; 11.513 90; 107.607; 90 | 3151.6 | Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties Chemical Science, 2019 |
| 1552780 | CIF | C17 H15 N O2 | P 1 21/a 1 | 15.29; 6.5298; 27.551 90; 105.054; 90 | 2656.3 | KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin X-ray Structure Analysis Online, 2019, 35, 47 |
| 1553242 | CIF | C18 H27 Cl N2 O | P 1 21/a 1 | 14.388; 6.189; 20.392 90; 98.16; 90 | 1797.47 | Jiménez-Sánchez, Arturo; Santillan, Rosa A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition. The Analyst, 2016, 141, 4108-4120 |
| 1553406 | CIF | C34 H37 Cl N2 O8 | P 1 21/a 1 | 12.411; 21.348; 12.558 90; 117.284; 90 | 2957 | Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I. Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study Molecular Systems Design & Engineering, 2016, 1, 416 |
| 1554065 | CIF | C26 H18 | P 1 21/a 1 | 9.4976; 20.413; 10.0843 90; 112.307; 90 | 1808.8 | Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis The Journal of Physical Chemistry C, 2016, 120, 1831 |
| 1554066 | CIF | C26 H18 | P 1 21/a 1 | 9.4051; 20.2644; 9.9777 90; 113.003; 90 | 1750.4 | Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis The Journal of Physical Chemistry C, 2016, 120, 1831 |
| 1554067 | CIF | C26 H18 | P 1 21/a 1 | 9.4528; 20.337; 10.0264 90; 112.802; 90 | 1776.9 | Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis The Journal of Physical Chemistry C, 2016, 120, 1831 |
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