Crystallography Open Database

Information card for entry 7054032

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Coordinates	7054032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 B N2
Calculated formula	C20 H35 B N2
Title of publication	Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f
Authors of publication	Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	4
Pages of publication	1717
a	15.8194 ± 0.0003 Å
b	7.939 ± 0.0001 Å
c	16.6596 ± 0.0003 Å
α	90°
β	110.723 ± 0.0008°
γ	90°
Cell volume	1956.92 ± 0.06 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections	0.157
Weighted residual factors for significantly intense reflections	0.079
Goodness-of-fit parameter for significantly intense reflections	2.8
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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