Crystallography Open Database

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4038632 CIFC44 H32 O2P 1 21/c 114.1264; 11.2302; 20.1932
90; 108.151; 90
3044.09Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.
Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.
The Journal of organic chemistry, 2020
4038633 CIFC56 H40 Cl2P 1 21/n 113.4014; 16.7991; 17.6974
90; 94.059; 90
3974.25Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.
Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.
The Journal of organic chemistry, 2020
4038634 CIFC20 H12 Cl N O4P -18.2755; 10.0566; 14.2145
96.365; 98.489; 108.418
1094.34Joshi, Dirgha Raj; Seo, Yohan; Heo, Yunkyung; Park, So-Hyeon; Lee, Yechan; Namkung, Wan; Kim, Ikyon
Domino [4+2] Annulation Access to Quinone-Indolizine Hybrids: Anticancer N-Fused Polycycles.
The Journal of organic chemistry, 2020
4038635 CIFC26 H21 Br N2 O4P 21 21 216.3409; 15.7289; 21.5122
90; 90; 90
2145.53Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro
Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.
The Journal of organic chemistry, 2020
4038636 CIFC23 H25 Br N2 O2P 21 21 219.4438; 12.2974; 18.032
90; 90; 90
2094.13Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro
Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.
The Journal of organic chemistry, 2020
4038637 CIFC30 H26 O4P 1 21/n 111.7533; 7.0684; 28.577
90; 98.767; 90
2346.4Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.
Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.
The Journal of organic chemistry, 2020
4038638 CIFC30 H18 O4P b c a10.1603; 14.3842; 29.7704
90; 90; 90
4350.9Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.
Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.
The Journal of organic chemistry, 2020
4038639 CIFC43 H29 N O2 SP 1 21/c 18.2499; 16.3857; 23.2184
90; 91.583; 90
3137.5Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng
Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.
The Journal of organic chemistry, 2020, 85, 10628-10637
4038640 CIFC44 H28 Cl3 N O2 SP 1 21/c 119.4003; 8.8494; 21.4549
90; 110.588; 90
3448.2Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng
Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.
The Journal of organic chemistry, 2020, 85, 10628-10637
4038641 CIFC24 H14 F3 N OP 1 21/c 121.308; 10.085; 8.125
90; 95.72; 90
1737.3Zhang, Yu; Yu, Yue; Liang, Bing-Bing; Pei, Yong-Yan; Liu, Xiang; Yao, Hua-Gang; Cao, Hua
Synthesis of Pyrrolo[2,1,5-cd]indolizine Rings via Visible-Light-Induced Intermolecular [3+2] Cycloaddition of Indolizines and Alkynes.
The Journal of organic chemistry, 2020
4038642 CIFC27 H23 Cl N4P -16.9037; 10.4256; 15.9906
75.052; 81.967; 79.048
1086.72Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long
C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.
The Journal of organic chemistry, 2020
4038643 CIFC21 H17 Cl F3 N3P 1 21/c 18.0093; 13.7121; 17.661
90; 102.821; 90
1891.2Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long
C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.
The Journal of organic chemistry, 2020
4038644 CIFC17 H16 Cl2 N2 O6P 21 21 214.7629; 13.4736; 8.8054
90; 90; 90
1751.48Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun
Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.
The Journal of organic chemistry, 2020
4038645 CIFC26 H54 O5 Si3C 1 2 128.9222; 7.8099; 31.9633
90; 113.747; 90
6608.6Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian
Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.
The Journal of organic chemistry, 2020
4038646 CIFC27 H55.75 O6 Si3P 1 21 17.858; 31.257; 28.576
90; 90; 90
7019Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian
Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.
The Journal of organic chemistry, 2020
4038647 CIFC94 H104 Eu2 N4 O9P 21 21 2114.5692; 16.642; 37.323
90; 90; 90
9049.4Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
The Journal of organic chemistry, 2020
4038648 CIFC94 H104 N4 Nd2 O9P 21 21 2114.6007; 16.7977; 37.486
90; 90; 90
9193.7Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
The Journal of organic chemistry, 2020
4038649 CIFC94 H106 N4 O10 Y2P 21 21 2114.5715; 16.3015; 36.96
90; 90; 90
8779.4Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
The Journal of organic chemistry, 2020
4038650 CIFC10 H14 OP 1 21 112.2177; 12.0514; 12.2819
90; 90.36; 90
1808.36Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
The Journal of organic chemistry, 2020
4038651 CIFC86 H86 La2 N4 O6P 1 21 113.7694; 26.093; 14.2594
90; 115.124; 90
4638.5Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
The Journal of organic chemistry, 2020
4038652 CIFC23 H28 Br N O5P 1 21/c 110.671; 22.8755; 9.5065
90; 92.152; 90
2318.9Ubale, Akash; Chaudhari, Moreshwar Bhagwan; Shaikh, Moseen A.; Gnanaprakasam, Boopathy
Manganese-Catalyzed Synthesis of Quaternary Peroxides: Application in Catalytic Deperoxidation and Rearrangement Reactions.
The Journal of organic chemistry, 2020
4038653 CIFC54 H48 Cl6 N2 O4 S2C 1 c 111.949; 25.877; 16.528
90; 98.21; 90
5058Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.
Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.
The Journal of organic chemistry, 2020
4038654 CIFC56 H52 N2 O4 S2P -17.6244; 10.3907; 15.0797
92.525; 97.786; 98.462
1168.26Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.
Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.
The Journal of organic chemistry, 2020
4038655 CIFC48 H44 O4 S2P -113.0977; 15.0775; 15.4634
115.901; 94.74; 112.307
2425.5Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.
Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.
The Journal of organic chemistry, 2020
4038656 CIFC43 H33 Cl3 O4 S2P -18.1459; 9.0608; 13.5621
75.86; 73.582; 84.176
930.52Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.
Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.
The Journal of organic chemistry, 2020
4038657 CIFC10 H16 O4P 19.5884; 14.8739; 15.0818
90.941; 94.795; 102.677
2089.8Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.
Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.
The Journal of organic chemistry, 2020
4038658 CIFC17 H43 P Si4P -19.1062; 11.3846; 13.688
105.432; 100.772; 112.646
1193.8Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038659 CIFC18 H45 P Si4P 1 21/n 111.3795; 15.8206; 14.3559
90; 102.901; 90
2519.3Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038660 CIFC19 H47 P Si4P -18.501; 11.132; 15.43
106.972; 91.957; 109.448
1302.9Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038661 CIFC20 H49 P Si4P -18.365; 11.304; 16.179
109.976; 92.19; 108.632
1343.7Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038662 CIFC26 H55 P Si4P n a 2116.317; 10.0485; 18.383
90; 90; 90
3014.1Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038663 CIFC26 H56 F6 P Sb Si4P 1 21/c 111.3052; 16.6951; 17.9915
90; 90.973; 90
3395.3Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038664 CIFC26 H57 Ag F6 O P2 Si4P 1 21/n 110.0857; 11.4481; 30.5231
90; 95.713; 90
3506.8Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki
Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.
The Journal of organic chemistry, 2020
4038665 CIFC30 H32 N12 O14P -113.525; 14.4928; 20.6967
80.1888; 78.9436; 82.5255
3903.38Breton, Gary W.; Martin, Kenneth L.
Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.
The Journal of organic chemistry, 2020
4038666 CIFC36 H36 N18 O18P 1 21/n 111.442; 35.588; 12.41317
90; 108.58; 90
4791.16Breton, Gary W.; Martin, Kenneth L.
Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.
The Journal of organic chemistry, 2020
4038667 CIFC36 H37 N5 O3P b c a23.94; 10.015; 26.173
90; 90; 90
6275Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.
Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures
The Journal of Organic Chemistry, 2020
4038668 CIFC42 H49 N5 O9P -18.8554; 15.448; 15.7234
87.963; 76.295; 75.824
2025.48Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.
Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures
The Journal of Organic Chemistry, 2020
4038669 CIFC18 H20P n a 2113.5493; 14.2703; 6.6906
90; 90; 90
1293.64Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter
FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.
The Journal of organic chemistry, 2020
4038670 CIFC18 H20P 1 21/c 17.1566; 6.7942; 13.6647
90; 94.077; 90
662.74Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter
FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.
The Journal of organic chemistry, 2020
4038671 CIFC26 H22 N O2 PP 15.0456; 10.0717; 20.3776
96.509; 95.256; 90.126
1024.46Winters, Karen R.; Montchamp, Jean-Luc
Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids
The Journal of Organic Chemistry, 2020
4038674 CIFC28 H18 O2P 1 21/c 18.065; 15.5091; 7.9152
90; 107.286; 90
945.32Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038675 CIFC40 H44 N2P 4220.4806; 20.4806; 7.7702
90; 90; 90
3259.2Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038676 CIFC38 H40 N2P 21 21 219.5927; 11.5581; 27.4017
90; 90; 90
3038.12Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038677 CIFC36 H36 N2P 1 21 19.6607; 11.69; 13.1805
90; 104.823; 90
1438.98Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038678 CIFC44 H48 N2P 21 21 219.4593; 11.8372; 30.9935
90; 90; 90
3470.4Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038679 CIFC36 H32 N2 O2P 21 21 219.7094; 11.6644; 23.344
90; 90; 90
2643.8Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038680 CIFC40 H48 N2P 1 21 19.9973; 11.6194; 13.9974
90; 98.549; 90
1607.91Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038681 CIFC38 H44 N2P 1 21 19.8901; 11.4265; 13.5336
90; 100.593; 90
1503.36Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038682 CIFC36 H40 N2P 21 21 219.8232; 11.5685; 24.8431
90; 90; 90
2823.16Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020
4038683 CIFC36 H36 N2 O2P 21 21 219.8347; 11.3818; 24.1002
90; 90; 90
2697.69Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
The Journal of Organic Chemistry, 2020

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