Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.
Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo; Chemical communications (Cambridge, England) 61 (2025) 14625–14628; doi:10.1039/d5cc04171f

data_7134916
_publ_section_title
;
 Regulation of the frontier molecular orbitals and photophysical
 properties of boron tropolonate complexes by regioselective
 functionalization.
;
_journal_issue                   76
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              14625
_journal_page_last               14628
_journal_paper_doi               10.1039/d5cc04171f
_journal_volume                  61
_journal_year                    2025
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Olex2 1.5
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2025-02-22 deposited with the CCDC.	2025-08-18 downloaded from the CCDC.
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CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
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CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
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scan:
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scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
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	             Chi: 45.0000
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AFC10: Fixed Chi 2 circle
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Rigaku Saturn724+ (4x4 bin mode)
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
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Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7134913--7134916.cif.
;
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;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C009(H009), C00A(H00A), C00B(H00B), C00C(H00C)
2.b Idealised Me refined as rotating group:
 C00D(H00D,H00E,H00F)
;
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